# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-14T17:35:14+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Organic & biomolecular chemistry') AND volume = 19 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1560013","5.2406","0.0007","6.5334","0.0008","31.137","0.004","90","","91.691","0.005","90","","1065.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C52 H60 N4 O8 -","2","0.5","","Goudappagouda, ?; Nidhankar, Aakash D.; Nayak, Rashmi A.; Santhosh Babu, Sukumaran","Aggregation-induced phosphorescence of an anthraquinone based emitter.","Organic & biomolecular chemistry","2021","19","5","1004","1008","10.1039/d0ob02505d","","","0.71073","MoKα","","0.1008","0.0708","","","0.1768","0.1926","","","","","","1.099","","","","has coordinates","262709","2021-03-05","02:23:44",""
"1562756","11.746","0.002","12.121","0.002","20.783","0.004","90","","90","","90","","2958.9","0.9","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N3 Ni O3 -","- C34 H37 N3 Ni O3 -","- C136 H148 N12 Ni4 O12 -","4","1","","Gugkaeva, Zalina T.; Smol'yakov, Alexander F.; Maleev, Victor I.; Larionov, Vladimir A.","A general asymmetric synthesis of artificial aliphatic and perfluoroalkylated α-amino acids by Luche's cross-electrophile coupling reaction.","Organic & biomolecular chemistry","2021","19","24","5327","5332","10.1039/d1ob00805f","","","0.71073","MoKα","","0.0638","0.0445","","","0.0944","0.103","","","","","","1.02","","","","has coordinates","267227","2021-07-05","18:10:29",""
"1562757","10.1084","0.0004","12.8143","0.0005","21.4068","0.0009","90","","90","","90","","2772.87","0.19","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 N3 Ni O3 -","- C31 H33 N3 Ni O3 -","- C124 H132 N12 Ni4 O12 -","4","1","","Gugkaeva, Zalina T.; Smol'yakov, Alexander F.; Maleev, Victor I.; Larionov, Vladimir A.","A general asymmetric synthesis of artificial aliphatic and perfluoroalkylated α-amino acids by Luche's cross-electrophile coupling reaction.","Organic & biomolecular chemistry","2021","19","24","5327","5332","10.1039/d1ob00805f","","","0.71073","MoKα","","0.0314","0.028","","","0.0709","0.073","","","","","","1.033","","","","has coordinates","267227","2021-07-05","18:10:29",""
"7157754","14.8685","0.0008","8.0336","0.0004","16.456","0.0009","90","","93.1431","0.0007","90","","1962.67","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","","Wang, Baolei; Constantin, Marius-Georgian; Singh, Simarpreet; Zhou, Yuqiao; Davis, Rebecca L.; West, F. G.","Generation and trapping of electron-deficient 1,2-cyclohexadienes. Unexpected hetero-Diels-Alder reactivity.","Organic & biomolecular chemistry","2021","19","2","399","405","10.1039/d0ob02285c","","","0.71073","MoKα","","0.0704","0.0562","","","0.1531","0.1652","","","","","","1.078","","","","has coordinates","261759","2021-02-04","23:30:35",""
"7157755","10.4535","0.0009","11.5142","0.001","17.3923","0.0014","71.1047","0.0011","87.8758","0.0011","89.5875","0.0011","1979.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","2","","Wang, Baolei; Constantin, Marius-Georgian; Singh, Simarpreet; Zhou, Yuqiao; Davis, Rebecca L.; West, F. G.","Generation and trapping of electron-deficient 1,2-cyclohexadienes. Unexpected hetero-Diels-Alder reactivity.","Organic & biomolecular chemistry","2021","19","2","399","405","10.1039/d0ob02285c","","","0.71073","MoKα","","0.0792","0.0521","","","0.131","0.1518","","","","","","1.023","","","","has coordinates","261759","2021-02-04","23:30:35",""
"7157756","15.4338","0.0003","8.3344","0.0002","16.0463","0.0003","90","","110.518","0.0008","90","","1933.12","0.07","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C92 H116 N4 O8 -","4","1","","Wang, Baolei; Constantin, Marius-Georgian; Singh, Simarpreet; Zhou, Yuqiao; Davis, Rebecca L.; West, F. G.","Generation and trapping of electron-deficient 1,2-cyclohexadienes. Unexpected hetero-Diels-Alder reactivity.","Organic & biomolecular chemistry","2021","19","2","399","405","10.1039/d0ob02285c","","","1.54178","CuKα","","0.0455","0.043","","","0.126","0.1286","","","","","","1.103","","","","has coordinates","261759","2021-02-04","23:30:35",""
"7157757","11.3621","0.0009","11.4447","0.0009","11.5177","0.0009","90","","119.266","0.001","90","","1306.54","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Chiral Iridicyle 1","Chiral Iridicyle 1","","- C31 H31 Cl Ir N O -","- C31 H31 Cl Ir N O -","- C62 H62 Cl2 Ir2 N2 O2 -","2","1","","Smith, Jennifer; Kacmaz, Aysecik; Wang, Chao; Villa-Marcos, Barbara; Xiao, Jianliang","Chiral cyclometalated iridium complexes for asymmetric reduction reactions.","Organic & biomolecular chemistry","2021","19","1","279","284","10.1039/d0ob02049d","","","0.71073","MoKα","","0.0206","0.0197","","","0.0442","0.0445","","","","","","0.748","","","","has coordinates","261757","2021-02-04","23:30:19",""
"7157758","7.7357","0.0005","14.3256","0.0009","22.7397","0.0014","90","","90","","90","","2520","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Chiral Iridicyle 2","Chiral Iridicyle 2","","- C31 H31 Cl Ir N O -","- C31 H31 Cl Ir N O -","- C124 H124 Cl4 Ir4 N4 O4 -","4","1","","Smith, Jennifer; Kacmaz, Aysecik; Wang, Chao; Villa-Marcos, Barbara; Xiao, Jianliang","Chiral cyclometalated iridium complexes for asymmetric reduction reactions.","Organic & biomolecular chemistry","2021","19","1","279","284","10.1039/d0ob02049d","","","0.71073","MoKα","","0.0154","0.0146","","","0.0332","0.0334","","","","","","1.028","","","","has coordinates","261757","2021-02-04","23:30:19",""
"7157763","18.614","0.004","9.112","0.0018","16.553","0.003","90","","107.01","0.03","90","","2684.7","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C128 H88 Cl8 N16 O8 -","8","1","","Lin, Xinxin; Zeng, Cuilian; Liu, Chengkou; Fang, Zheng; Guo, Kai","C-5 selective chlorination of 8-aminoquinoline amides using dichloromethane.","Organic & biomolecular chemistry","2021","19","6","1352","1357","10.1039/d0ob02055a","","","0.71073","MoKα","","0.0763","0.0536","","","0.14","0.1581","","","","","","1.004","","","","has coordinates","262721","2021-03-05","02:26:06",""
"7157774","10.4037","0.0001","10.6504","0.0001","13.4206","0.0001","90","","90","","90","","1487.05","0.02","150","","150","","","","","","","","from U of Wollongong","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Cl N O2 -","- C17 H20 Cl N O2 -","- C68 H80 Cl4 N4 O8 -","4","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.0341","0.034","","0.0921","0.0919","0.0921","","","","","","1.0026","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157775","12.2886","0.0002","7.0684","0.0001","13.9005","0.0002","90","","104.496","0.0013","90","","1168.97","0.03","150","","150","","","","","","","","from U of Wollongong","6","P 1 21 1","P 2yb","4","","","","- C23 H34 Cl N O2 Si -","- C23 H34 Cl N O2 Si -","- C46 H68 Cl2 N2 O4 Si2 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.048","0.0478","","0.134","0.1339","0.134","","","","","","1.0042","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157776","10.6602","0.0005","8.6837","0.0003","12.1854","0.0005","90","","92.849","0.003","90","","1126.61","0.08","150","","150","","","","","","","","from U of Wollongong","4","P 1 21 1","P 2yb","4","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C56 H52 N4 O4 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","0.71073","MoKα","","0.0461","0.0418","","0.096","0.0935","0.096","","","","","","1.0171","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157777","9.2571","0.0001","8.0452","0.0001","16.5061","0.0001","90","","98.63","0.0008","90","","1215.38","0.02","150","","150","","","","","","","","from U of Wollongong","6","P 1 21 1","P 2yb","4","","","","- C23 H34 Cl N O2 Si -","- C23 H34 Cl N O2 Si -","- C46 H68 Cl2 N2 O4 Si2 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.0403","0.0401","","0.1072","0.1066","0.1072","","","","","","1.0007","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157778","7.702","0.0001","11.2053","0.0002","14.0796","0.0002","90","","90.9742","0.0014","90","","1214.94","0.03","150","","150","","","","","","","","from U of Wollongong","7","P 1 21 1","P 2yb","4","","","","- C23 H35 Cl F N O2 Si -","- C23 H35 Cl F N O2 Si -","- C46 H70 Cl2 F2 N2 O4 Si2 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.0524","0.0512","","0.1395","0.138","0.1395","","","","","","1.0009","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157779","11.0485","0.0006","7.5574","0.0003","14.9506","0.0007","90","","108.179","0.005","90","","1186.03","0.1","150","","150","","","","","","","","from U of Wollongong","7","P 1 21 1","P 2yb","4","","","","- C23 H35 Cl F N O2 Si -","- C23 H35 Cl F N O2 Si -","- C46 H70 Cl2 F2 N2 O4 Si2 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.0598","0.0555","","0.1504","0.1436","0.1504","","","","","","0.9961","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157783","5.6978","0.0007","24.596","0.003","16.9362","0.0018","90","","94.356","0.004","90","","2366.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","18087z","","","- C25 H29 N O7 -","- C25 H29 N O7 -","- C100 H116 N4 O28 -","4","1","","Hammers, Matthew D.; Hodny, Michael H.; Bader, Taysir K.; Mahmoodi, M. Mohsen; Fang, Sifei; Fenton, Alexander D.; Nurie, Kadiro; Trial, Hallie O.; Xu, Feng; Healy, Andrew T.; Ball, Zachary T.; Blank, David A.; Distefano, Mark D.","Two-photon uncaging of bioactive thiols in live cells at wavelengths above 800 nm.","Organic & biomolecular chemistry","2021","19","10","2213","2223","10.1039/d0ob01986k","","","0.71073","MoKα","","0.0677","0.0538","","","0.1366","0.1467","","","","","","1.043","","","","has coordinates","263819","2021-04-05","15:14:23",""
"7157803","13.71398","0.00013","15.00188","0.00015","9.01525","0.00008","90","","93.206","0.0009","90","","1851.85","0.03","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 B F2 N3 O S -","- C22 H14 B F2 N3 O S -","- C88 H56 B4 F8 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Kravets, Mykola; Luboradzki, Roman; Volyniuk, Dmytro; Sashuk, Volodymyr; Grazulevicius, Juozas Vidas","Carbazole-modified thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinines exhibiting aggregation-induced emission and mechanofluorochromism.","Organic & biomolecular chemistry","2021","19","2","406","415","10.1039/d0ob02225j","","x-ray","1.54184","CuKα","","0.037","0.0367","","","0.0994","0.0998","","","","","","1.0537","","","","has coordinates","261760","2021-02-04","23:30:47",""
"7157804","9.5125","0.0009","10.2643","0.001","14.9575","0.0014","90","","90","","90","","1460.4","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C68 H64 O20 -","4","1","","Gao, Yu-Qi; Hou, Yi; Chen, Junhan; Zhen, Yanxia; Xu, Dongyang; Zhang, Hongli; Wei, Hongbo; Xie, Weiqing","Asymmetric synthesis of 9-alkyl tetrahydroxanthenones <i>via</i> tandem asymmetric Michael/cyclization promoted by chiral phosphoric acid.","Organic & biomolecular chemistry","2021","19","2","348","354","10.1039/d0ob02140g","","","1.54178","CuKα","","0.0351","0.029","","","0.0795","0.0817","","","","","","1.047","","","","has coordinates","261762","2021-02-04","23:30:57",""
"7157805","12.3306","0.0006","9.6662","0.0006","21.3703","0.0012","90","","91.206","0.002","90","","2546.6","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N O3 -","- C31 H27 N O3 -","- C124 H108 N4 O12 -","4","1","","He, Chun-Ting; Han, Xiao-Li; Zhang, Yan-Xue; Du, Zhen-Ting; Si, Chang-Mei; Wei, Bang-Guo","Sc(OTf)<sub>3</sub>-catalyzed [3 + 2]-cycloaddition of nitrones with ynones.","Organic & biomolecular chemistry","2021","19","2","457","466","10.1039/d0ob02158j","","","0.71073","mokα","","0.0641","0.0426","","","0.0996","0.1138","","","","","","1.053","","","","has coordinates","261763","2021-02-04","23:31:03",""
"7157806","8.1617","0.0004","24.6313","0.0011","11.5178","0.0007","90","","91.993","0.005","90","","2314.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H20 Cl F3 N2 O2 -","- C26 H20 Cl F3 N2 O2 -","- C104 H80 Cl4 F12 N8 O8 -","4","2","","Liu, Shuai-Jiang; Mao, Qing; Zhan, Gu; Qin, Rui; Chen, Ben-Hong; Xue, Jing; Luo, Meng-Lan; Zhao, Qian; Han, Bo","Stereoselective synthesis of trifluoroethyl 3,2'-spirooxindole γ-lactam through the organocatalytic cascade reaction of 3-((2,2,2-trifluoroethyl)amino)indolin-2-one.","Organic & biomolecular chemistry","2021","19","2","467","475","10.1039/d0ob02166k","","x-ray","0.71073","MoKα","","0.0763","0.0505","","","0.1091","0.122","","","","","","1.026","","","","has coordinates","261761","2021-02-04","23:30:52",""
"7157807","9.73","0.002","20.98","0.004","11.45","0.002","90","","104.39","0.03","90","","2264","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N O2 S -","- C28 H21 N O2 S -","- C112 H84 N4 O8 S4 -","4","1","","Kar, Abhishek; Chakraborty, Baitan; Kundal, Sandip; Rana, Gopal; Jana, Umasish","DDQ/FeCl<sub>3</sub>-mediated tandem oxidative carbon-carbon bond formation for the Synthesis of indole-fluorene hybrid molecules.","Organic & biomolecular chemistry","2021","19","4","906","910","10.1039/d0ob00413h","","","0.71073","MoKα","","0.1238","0.0543","","","0.1306","0.1701","","","","","","0.861","","","","has coordinates","262714","2021-03-05","02:24:39",""
"7157808","18.521","0.0004","18.521","0.0004","9.0228","0.0002","90","","90","","90","","3095.07","0.12","90","","90","","","","","","","","","5","I 41/a :2","-I 4ad","88","","2-Toluenesulfonamide","","- C7 H9 N O2 S -","- C7 H9 N O2 S -","- C112 H144 N16 O32 S16 -","16","1","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.036","0.0324","","","0.0887","0.0915","","","","","","1.067","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157809","6.6299","0.0002","16.2473","0.0004","7.5792","0.0002","90","","91.6792","0.0011","90","","816.07","0.04","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Toluenesulfonamide","","- C7 H9 N O2 S -","- C7 H9 N O2 S -","- C28 H36 N4 O8 S4 -","4","1","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0346","0.0311","","","0.0869","0.0893","","","","","","1.043","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157810","10.1687","0.0011","7.4132","0.0013","7.6623","0.0015","90","","100.344","0.005","90","","568.22","0.16","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-Phenylenediamine","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0705","0.0483","","","0.1239","0.1347","","","","","","1.049","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157811","6.9213","0.0002","14.3941","0.0004","15.9579","0.0005","90","","90.6969","0.0014","90","","1589.7","0.08","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Toluenesulfonamide","","- C7 H9 N O2 S -","- C7 H9 N O2 S -","- C56 H72 N8 O16 S8 -","8","2","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.057","0.0394","","","0.097","0.1051","","","","","","1.048","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157812","10.1116","0.0002","12.9234","0.0003","7.4954","0.0001","90","","90","","90","","979.47","0.03","90","","90","","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,2-Bis(methanesulfonyl)benzene","","- C8 H10 O4 S2 -","- C8 H10 O4 S2 -","- C32 H40 O16 S8 -","4","0.5","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0296","0.0279","","","0.0788","0.0801","","","","","","1.051","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157813","7.5162","0.0004","3.9503","0.0002","22.2292","0.0013","90","","93.257","0.003","90","","658.95","0.06","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Bromobenzonitrile","","- C7 H4 Br N -","- C7 H4 Br N -","- C28 H16 Br4 N4 -","4","1","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0447","0.0343","","","0.086","0.0918","","","","","","1.058","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157814","17.8295","0.0005","6.9792","0.0002","7.9202","0.0002","90","","92.3238","0.0012","90","","984.74","0.05","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-Bis(methanesulfonyl)benzene","","- C8 H10 O4 S2 -","- C8 H10 O4 S2 -","- C32 H40 O16 S8 -","4","0.5","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0379","0.0306","","","0.0779","0.0825","","","","","","1.058","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157815","8.3017","0.0002","5.8957","0.0001","22.7478","0.0005","90","","93.5648","0.001","90","","1111.22","0.04","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Phenylenediamine","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","2","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.051","0.04","","","0.1058","0.1125","","","","","","1.027","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157816","9.4437","0.0001","8.5227","0.0001","4.0482","0.0001","90","","91.2214","0.0001","90","","325.749","0.01","90","","90","","","","","","","","","4","C 1 m 1","C -2y","8","","4-Bromobenzonitrile","","- C7 H4 Br N -","- C7 H4 Br N -","- C14 H8 Br2 N2 -","2","0.5","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0209","0.0209","","","0.052","0.052","","","","","","1.083","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157817","5.3453","0.0001","6.6576","0.0001","6.9904","0.0001","86.1628","0.0001","88.9324","0.0001","82.6823","0.0001","246.174","0.007","90","","90","","","","","","","","","4","P -1","-P 1","2","","1,4-Bis(methaneslufonyl)benzene","","- C8 H10 O4 S2 -","- C8 H10 O4 S2 -","- C8 H10 O4 S2 -","1","0.5","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.038","0.0312","","","0.0723","0.0754","","","","","","1.05","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157818","8.0887","0.0001","11.9923","0.0002","23.8075","0.0004","90","","90.9951","0.0006","90","","2309.03","0.06","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3-Phenylenediamine","","- C6 H8 N2 -","- C6 H8 N2 -","- C96 H128 N32 -","16","4","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0532","0.0383","","","0.0958","0.1035","","","","","","1.032","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157819","3.891","0.0002","10.2919","0.0004","16.3686","0.0007","90","","94.963","0.002","90","","653.04","0.05","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Bromobenzonitrile","","- C7 H4 Br N -","- C7 H4 Br N -","- C28 H16 Br4 N4 -","4","1","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0448","0.0405","","","0.1115","0.1141","","","","","","1.179","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157820","9.8262","0.0002","10.2492","0.0002","14.6317","0.0003","95.916","0.002","102.954","0.002","111.833","0.002","1304.44","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H54 N6 O4 -","- C54 H54 N6 O4 -","- C54 H54 N6 O4 -","1","0.5","","Prusty, Namrata; Kinthada, Lakshmana K.; Meena, Rohit; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu","Bismuth(iii)-catalyzed regioselective alkylation of tetrahydroquinolines and indolines towards the synthesis of bioactive core-biaryl oxindoles and CYP19 inhibitors.","Organic & biomolecular chemistry","2021","19","4","891","905","10.1039/d0ob02385j","","x-ray","1.54184","CuKα","","0.0376","0.036","","","0.0902","0.0912","","","","","","1.033","","","","has coordinates","262715","2021-03-05","02:25:00",""
"7157821","11.5475","0.0003","11.5869","0.0003","16.748","0.0003","86.787","0.002","70.29","0.002","89.647","0.002","2106.08","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C47 H45 N3 O7 S2 -","- C44 H42 N2 O4 S2 -","- C88 H84 N4 O8 S4 -","2","1","","Prusty, Namrata; Kinthada, Lakshmana K.; Meena, Rohit; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu","Bismuth(iii)-catalyzed regioselective alkylation of tetrahydroquinolines and indolines towards the synthesis of bioactive core-biaryl oxindoles and CYP19 inhibitors.","Organic & biomolecular chemistry","2021","19","4","891","905","10.1039/d0ob02385j","","x-ray","1.54184","CuKα","","0.1033","0.0996","","","0.2653","0.2693","","","","","","1.032","","","","has coordinates","262715","2021-03-05","02:25:00",""
"7157822","18.0027","0.0003","17.5394","0.0003","7.634","0.0001","90","","91.611","0.0008","90","","2409.53","0.07","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O5 S -","- C27 H25 N O5 S -","- C108 H100 N4 O20 S4 -","4","1","","Chada, Raji Reddy; Kajare, Roshan Chandrakant; Bhandari, Mayur C.; Mohammed, Siddique Z.; Khatravath, Mahender; Warudikar, Kamalkishor; Punna, Nagender","Facile access to [1,2]-oxazine derivatives via annulations of aminoxy-tethered 1,7-enynes.","Organic & biomolecular chemistry","2021","19","4","809","821","10.1039/d0ob02279a","","","0.71073","MoKα","","0.0945","0.0574","","","0.1329","0.1492","","","","","","1.067","","","","has coordinates","262716","2021-03-05","02:25:13",""
"7157823","9.9992","0.0004","10.1775","0.0005","12.6396","0.0006","69.319","0.005","80.319","0.004","84.713","0.004","1185.52","0.1","291.43","0.1","291.43","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N3 O -","- C30 H25 N3 O -","- C60 H50 N6 O2 -","2","1","","De Abreu, Maxime; Tang, Yue; Brachet, Etienne; Selkti, Mohamed; Michelet, Véronique; Belmont, Philippe","Silver-catalyzed tandem cycloisomerization/hydroarylation reactions and mechanistic investigations for an efficient access to 1,2-dihydroisoquinolines.","Organic & biomolecular chemistry","2021","19","5","1037","1046","10.1039/d0ob02197k","","x-ray","0.71073","MoKα","","0.0756","0.056","","","0.16","0.1738","","","","","","1.085","","","","has coordinates","262708","2021-03-05","02:23:38",""
"7157824","23.825","0.002","14.2553","0.0012","13.0345","0.0012","90","","112.464","0.003","90","","4091","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 F3 N O4 S -","- C23 H18 F3 N O4 S -","- C184 H144 F24 N8 O32 S8 -","8","1","","De Abreu, Maxime; Tang, Yue; Brachet, Etienne; Selkti, Mohamed; Michelet, Véronique; Belmont, Philippe","Silver-catalyzed tandem cycloisomerization/hydroarylation reactions and mechanistic investigations for an efficient access to 1,2-dihydroisoquinolines.","Organic & biomolecular chemistry","2021","19","5","1037","1046","10.1039/d0ob02197k","","","0.71073","MoKα","","0.1366","0.0516","","","0.0868","0.1072","","","","","","0.919","","","","has coordinates","262708","2021-03-05","02:23:38",""
"7157825","5.6716","0.0005","11.2488","0.0011","11.2777","0.001","71.977","0.004","78.405","0.004","83.669","0.004","669.34","0.11","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C34 H30 N2 O6 -","2","1","","Hu, Wangcheng; He, Xinwei; Zhou, Tongtong; Zuo, Youpeng; Zhang, Shiwen; Yang, Tingting; Shang, Yongjia","Construction of isoxazolone-fused phenanthridines <i>via</i> Rh-catalyzed cascade C-H activation/cyclization of 3-arylisoxazolones with cyclic 2-diazo-1,3-diketones.","Organic & biomolecular chemistry","2021","19","3","552","556","10.1039/d0ob02310h","","","0.71073","MoKα","","0.0588","0.0429","","","0.1052","0.1145","","","","","","1.036","","","","has coordinates","261767","2021-02-04","23:31:36",""
"7157826","8.4191","0.0002","10.2779","0.0002","11.5069","0.0003","71.584","0.001","72.713","0.001","72.084","0.001","876.57","0.04","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 Cl2 O4 -","- C20 H14 Cl2 O4 -","- C40 H28 Cl4 O8 -","2","1","","Zhao, Bin; Xu, Bo","Visible-light promoted oxidative cyclization of cinnamic acid derivatives using xanthone as the photocatalyst.","Organic & biomolecular chemistry","2021","19","3","568","573","10.1039/d0ob02417a","","","1.34139","GaKα","","0.0423","0.0364","","","0.1","0.1056","","","","","","1.04","","","","has coordinates","261766","2021-02-04","23:31:31",""
"7157827","4.844","0.006","7.64","0.02","18.26","0.02","91","0.3","93.03","0.14","90.89","0.19","675","2","120","","120","","","","","","","","","4","P -1","-P 1","2","","(1R,5R,6R,7S,8aR)-6,7-dihydroxy-5-(hydroxymethyl)-1-pentylhexahydro-3H-oxazolo[3,4-a]pyridin-3-one","","- C13 H23 N O5 -","- C13 H23 N O5 -","- C26 H46 N2 O10 -","2","1","","Lumbroso, Alexandre; Berthonneau, Clément; Beaudet, Isabelle; Quintard, Jean-Paul; Planchat, Aurélien; García-Moreno, M Isabel; Ortiz Mellet, Carmen; Le Grognec, Erwan","A versatile stereocontrolled synthesis of 2-deoxyiminosugar C-glycosides and their evaluation as glycosidase inhibitors.","Organic & biomolecular chemistry","2021","19","5","1083","1099","10.1039/d0ob02249g","","x-ray","0.71069","MoKα","","0.0898","0.0593","","","0.1245","0.1397","","","","1.68","1.68","1.62","","","","has coordinates","262710","2021-03-05","02:23:50",""
"7157828","8.3","0.002","6.2591","0.0006","9.34","0.002","90","","108.02","0.02","90","","461.42","0.16","80","2","80","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C18 H22 N2 O10 -","2","1","","Lumbroso, Alexandre; Berthonneau, Clément; Beaudet, Isabelle; Quintard, Jean-Paul; Planchat, Aurélien; García-Moreno, M Isabel; Ortiz Mellet, Carmen; Le Grognec, Erwan","A versatile stereocontrolled synthesis of 2-deoxyiminosugar C-glycosides and their evaluation as glycosidase inhibitors.","Organic & biomolecular chemistry","2021","19","5","1083","1099","10.1039/d0ob02249g","","","0.71073","MoKα","","0.0378","0.0302","","","0.0742","0.076","","","","","","1.054","","","","has coordinates","262710","2021-03-05","02:23:51",""
"7157829","9.3481","0.0014","11.8624","0.0017","17.695","0.003","90","","100.756","0.004","90","","1927.7","0.5","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O3 S -","- C20 H25 N O3 S -","- C80 H100 N4 O12 S4 -","4","1","","Paudyal, Mahesh P.; Wang, Mingliang; Siitonen, Juha H.; Hu, Yimin; Yousufuddin, Muhammed; Shen, Hong C.; Falck, John R.; Kürti, László","Intramolecular N-Me and N-H aminoetherification for the synthesis of <i>N</i>-unprotected 3-amino-O-heterocycles.","Organic & biomolecular chemistry","2021","19","3","557","560","10.1039/d0ob02122a","","","0.71073","MoKα","","0.0716","0.0491","","","0.1623","0.1804","","","","","","1.248","","","","has coordinates","261765","2021-02-04","23:31:26",""
"7157830","8.9919","0.0002","12.2777","0.0002","14.0831","0.0003","90","","90","","90","","1554.77","0.05","153","","153","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Chang, Zhiqian; Zhu, Huilong; Wu, Changhui; Xing, Junhao; Dou, Xiaowei","A rhodium-catalysed conjugate addition/cyclization cascade for the asymmetric synthesis of 2-amino-4H-chromenes.","Organic & biomolecular chemistry","2021","19","4","785","788","10.1039/d0ob02404j","","","1.54178","CuKα","","0.0355","0.0324","","","0.0807","0.0834","","","","","","1.087","","","","has coordinates","262713","2021-03-05","02:24:31",""
"7157831","7.9985","0.0006","10.3197","0.0006","22.414","0.0014","90","","93.464","0.002","90","","1846.7","0.2","273","2","273.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","Hygrophorone A12","","- C18 H32 O4 -","- C18 H32 O4 -","- C72 H128 O16 -","4","2","","Das, Sayani; Dalal, Anu; Gholap, Shivajirao L.","Stereoselective total syntheses of (-)-hygrophorone A<sup>12</sup>, 4-<i>O</i>-acetyl-hygrophorone A<sup>12</sup> and (+)-hygrophorone B<sup>12</sup>.","Organic & biomolecular chemistry","2021","19","5","1100","1108","10.1039/d0ob02303e","","","0.71073","MoKα","","0.0862","0.0501","","","0.1023","0.1169","","","","","","1.025","","","","has coordinates","262706","2021-03-05","02:23:26",""
"7157832","9.8242","0.0001","13.6944","0.0002","17.0549","0.0003","83.081","0.001","83.318","0.001","79.105","0.001","2226.41","0.06","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H43 Cl3 N2 O6 -","- C53 H43 Cl3 N2 O6 -","- C106 H86 Cl6 N4 O12 -","2","1","","Hsueh, Nai-Chen; Chen, Shin-Mei; Lin, Chun-Yi; Chang, Meng-Yang","HCl-mediated cascade cyclocondensation of oxygenated arylacetic acids with arylaldehydes: one-pot synthesis of 1-arylisoquinolines.","Organic & biomolecular chemistry","2021","19","5","1047","1059","10.1039/d0ob02431g","","x-ray","0.71073","MoKα","","0.077","0.0634","","","0.1779","0.1861","","","","","","1.048","","","","has coordinates,has disorder","262711","2021-03-05","02:24:19",""
"7157833","10.5325","0.0002","8.1523","0.0002","19.8965","0.0004","90","","94.68","0.002","90","","1702.7","0.06","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O6 -","- C19 H18 N2 O6 -","- C76 H72 N8 O24 -","4","1","","Hsueh, Nai-Chen; Chen, Shin-Mei; Lin, Chun-Yi; Chang, Meng-Yang","HCl-mediated cascade cyclocondensation of oxygenated arylacetic acids with arylaldehydes: one-pot synthesis of 1-arylisoquinolines.","Organic & biomolecular chemistry","2021","19","5","1047","1059","10.1039/d0ob02431g","","x-ray","0.71073","MoKα","","0.044","0.0353","","","0.0893","0.0939","","","","","","1.063","","","","has coordinates","262711","2021-03-05","02:24:19",""
"7157834","8.6565","0.0002","9.9527","0.0002","20.7506","0.0005","90","","96.235","0.002","90","","1777.2","0.07","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O5 -","- C20 H21 N O5 -","- C80 H84 N4 O20 -","4","1","","Hsueh, Nai-Chen; Chen, Shin-Mei; Lin, Chun-Yi; Chang, Meng-Yang","HCl-mediated cascade cyclocondensation of oxygenated arylacetic acids with arylaldehydes: one-pot synthesis of 1-arylisoquinolines.","Organic & biomolecular chemistry","2021","19","5","1047","1059","10.1039/d0ob02431g","","x-ray","0.71073","MoKα","","0.0728","0.0636","","","0.1507","0.155","","","","","","1.109","","","","has coordinates","262711","2021-03-05","02:24:19",""
"7157835","12.14946","0.00015","6.86531","0.00007","15.15149","0.00018","90","","108.158","0.0013","90","","1200.85","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","1","","Yang, Jian; Wang, Bei; Zhang, Yuankang; Zhang, Shuqing; He, Shuai; Shi, Zhi-Chuan; Wang, Ji-Yu","Copper-catalyzed one-pot amine-alkylation of quinones with amines and alkanes.","Organic & biomolecular chemistry","2021","19","5","988","992","10.1039/d0ob02514c","","x-ray","1.54184","CuKα","","0.0316","0.0311","","","0.0843","0.0849","","","","","","1.026","","","","has coordinates","262712","2021-03-05","02:24:26",""
"7157836","9.9597","0.001","15.095","0.0012","12.0193","0.0012","90","","108.577","0.011","90","","1712.9","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Yang, Jian; Wang, Bei; Zhang, Yuankang; Zhang, Shuqing; He, Shuai; Shi, Zhi-Chuan; Wang, Ji-Yu","Copper-catalyzed one-pot amine-alkylation of quinones with amines and alkanes.","Organic & biomolecular chemistry","2021","19","5","988","992","10.1039/d0ob02514c","","x-ray","0.71073","MoKα","","0.0618","0.0486","","","0.1134","0.121","","","","","","1.066","","","","has coordinates","262712","2021-03-05","02:24:26",""
"7157837","4.9355","0.0004","9.9998","0.0008","44.492","0.003","90","","90","","90","","2195.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Br N2 O5 -","- C24 H25 Br N2 O5 -","- C96 H100 Br4 N8 O20 -","4","1","","Marshall, James W.; de Mattos-Shipley, Kate M J; Ghannam, Iman A. Y.; Munawar, Asifa; Killen, Jonathan C.; Lazarus, Colin M.; Cox, Russell J.; Willis, Christine L.; Simpson, Thomas J.","Fusarochromene, a novel tryptophan-derived metabolite from <i>Fusarium sacchari</i>.","Organic & biomolecular chemistry","2021","19","1","182","187","10.1039/d0ob02031a","","","1.54178","CuKα","","0.0495","0.0487","","","0.1216","0.122","","","","","","1.229","","","","has coordinates","260678","2021-01-07","04:51:02",""
"7157838","6.2936","0.0003","14.1248","0.0007","23.296","0.0009","90","","90","","90","","2070.92","0.16","293.9","0.3","293.9","0.3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br F3 N2 O2 -","- C22 H18 Br F3 N2 O2 -","- C88 H72 Br4 F12 N8 O8 -","4","1","","Gao, Yang; Song, Xue; Yan, Ru-Jie; Du, Wei; Chen, Ying-Chun","Asymmetric β,γ'-regioselective [4 + 3] and [4 + 2] annulations of α-vinylenals <i>via</i> cascade iminium ion-dienamine catalysis.","Organic & biomolecular chemistry","2021","19","1","151","155","10.1039/d0ob02068k","","x-ray","1.54184","CuKα","","0.0674","0.0634","","","0.1675","0.1749","","","","","","1.056","","","","has coordinates","260682","2021-01-07","04:52:03",""
"7157839","8.1897","0.0003","12.2546","0.0005","10.5538","0.0004","90","","90.193","0.003","90","","1059.19","0.07","295.1","0.4","295.1","0.4","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 O2 S -","- C24 H20 N2 O2 S -","- C48 H40 N4 O4 S2 -","2","1","","Gao, Yang; Song, Xue; Yan, Ru-Jie; Du, Wei; Chen, Ying-Chun","Asymmetric β,γ'-regioselective [4 + 3] and [4 + 2] annulations of α-vinylenals <i>via</i> cascade iminium ion-dienamine catalysis.","Organic & biomolecular chemistry","2021","19","1","151","155","10.1039/d0ob02068k","","x-ray","1.54184","CuKα","","0.0531","0.0492","","","0.1245","0.1319","","","","","","1.033","","","","has coordinates","260682","2021-01-07","04:52:03",""
"7157840","4.954","0.003","20.606","0.013","16.56","0.01","90","","91.728","0.015","90","","1689.7","1.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Malasala, Satyaveni; Polomoni, Anusha; Chelli, Sai Manohar; Kar, Swayamsidda; Madhavi, Y. V.; Nanduri, Srinivas","A microwave-assisted copper-mediated tandem approach for fused quinazoline derivatives.","Organic & biomolecular chemistry","2021","19","8","1854","1859","10.1039/d0ob02312d","","","0.71073","MoKα","","0.0813","0.0558","","","0.1396","0.1559","","","","","","1.055","","","","has coordinates","263832","2021-04-05","15:16:25",""
"7157841","12.2034","0.0004","8.3948","0.0003","19.2731","0.0006","90","","91.4","0.003","90","","1973.85","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl N O2 -","- C24 H20 Cl N O2 -","- C96 H80 Cl4 N4 O8 -","4","1","","P, Rajesh; Almansour, Abdulrahman I.; Arumugam, Natarajan; Yaragorla, Srinivasarao","Calcium-catalyzed formal [3 + 2] annulation of <i>C</i>,<i>N</i>-diacyliminium ions with nucleophilic phenols: a diversity oriented synthesis of 3-aminofurans.","Organic & biomolecular chemistry","2021","19","5","1060","1065","10.1039/d0ob02276d","","","0.71073","MoKα","","0.0665","0.0436","","","0.1113","0.1254","","","","","","1.067","","","","has coordinates","262707","2021-03-05","02:23:32",""
"7157842","10.235","0.002","10.235","0.002","23.295","0.012","90","","90","","90","","2440.3","1.4","296","2","296","2","","","","","","","","6","P 41","P 4w","76","","","","- C26 H18 Br N3 O2 S -","- C26 H18 Br N3 O2 S -","- C104 H72 Br4 N12 O8 S4 -","4","1","","Wang, Wenyao; Wei, Shiqiang; Bao, Xiaoze; Nawaz, Shah; Qu, Jingping; Wang, Baomin","Enantioselective [3 + 2] annulation of 4-isothiocyanato pyrazolones and alkynyl ketones under organocatalysis.","Organic & biomolecular chemistry","2021","19","5","1145","1154","10.1039/d0ob02423f","","","0.71073","MoKα","","0.0987","0.0488","","","0.1038","0.1213","","","","","","0.951","","","","has coordinates","262705","2021-03-05","02:23:20",""
"7157843","8.9714","0.0015","6.6608","0.0007","19.405","0.003","90","","98.551","0.015","90","","1146.7","0.3","114","1","114","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O -","- C15 H16 O -","- C60 H64 O4 -","4","1","","Samser, Shaikh; Biswal, Priyabrata; Meher, Sushanta Kumar; Venkatasubbaiah, Krishnan","Palladium mediated one-pot synthesis of 3-aryl-cyclohexenones and 1,5-diketones from allyl alcohols and aryl ketones.","Organic & biomolecular chemistry","2021","19","6","1386","1394","10.1039/d0ob02515a","","x-ray","1.54184","CuKα","","0.1201","0.1022","","","0.2919","0.319","","","","","","1.28","","","","has coordinates","262719","2021-03-05","02:25:51",""
"7157844","8.3267","0.0018","8.7156","0.0019","16.902","0.004","97.684","0.003","91.3","0.002","94.942","0.002","1210.4","0.5","182","2","181.65","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 N2 O4 S -","- C29 H24 N2 O4 S -","- C58 H48 N4 O8 S2 -","2","1","","Wang, Hai-Qing; Ma, Wenjing; Sun, Ao; Sun, Xin-Yue; Jiang, Chao; Zhang, Yu-Chen; Shi, Feng","(4 + 2) cyclization of aza-<i>o</i>-quinone methides with azlactones: construction of biologically important dihydroquinolinone frameworks.","Organic & biomolecular chemistry","2021","19","6","1334","1343","10.1039/d0ob02388d","","","0.71073","MoKα","","0.063","0.048","","","0.1196","0.1288","","","","","","1.029","","","","has coordinates","262717","2021-03-05","02:25:29",""
"7157845","10.1798","0.0002","10.3113","0.0002","12.4879","0.0003","112.371","0.002","101.901","0.002","101.004","0.002","1132.33","0.05","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H26 N2 O3 S Si -","- C23 H26 N2 O3 S Si -","- C46 H52 N4 O6 S2 Si2 -","2","1","","Tsuda, Masato; Morita, Taiki; Fukuhara, Shintaro; Nakamura, Hiroyuki","Synthesis of 4-amino-5-allenylisoxazoles <i>via</i> gold(I)-catalysed propargyl aza-Claisen rearrangement.","Organic & biomolecular chemistry","2021","19","6","1358","1364","10.1039/d0ob02544e","","x-ray","1.54184","CuKα","","0.0457","0.0426","","","0.115","0.1175","","","","","","1.085","","","","has coordinates","262720","2021-03-05","02:25:59",""
"7157846","6.1764","0.0002","22.3986","0.0006","16.9215","0.0005","90","","94.563","0.001","90","","2333.55","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H32 O7 -","- C27 H32 O7 -","- C108 H128 O28 -","4","2","","Chen, Yan-Ni; Ding, Xiao; Li, Dong-Mei; Sun, Mao; Yang, Lei; Zhang, Yu; Di, Ying-Tong; Fang, Xin; Hao, Xiao-Jiang","Diterpenoids with an unprecedented ring system from <i>Euphorbia peplus</i> and their activities in the lysosomal-autophagy pathway.","Organic & biomolecular chemistry","2021","19","7","1541","1545","10.1039/d0ob02414g","","","1.54178","CuKα","","0.0288","0.0285","","","0.0709","0.0711","","","","","","1.034","","","","has coordinates,has disorder","262723","2021-03-05","02:26:19",""
"7157847","9.65728","0.00015","15.7878","0.0003","31.1416","0.0004","90","","93.2577","0.0014","90","","4740.4","0.13","110","0.4","110","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-benzyl-5,8-diaza-1-thiacycloicosane-4,7,20-trione","","- C24 H36 N2 O3 S -","- C24 H36 N2 O3 S -","- C192 H288 N16 O24 S8 -","8","2","","Palate, Kleopas Y.; Epton, Ryan G.; Whitwood, Adrian C.; Lynam, Jason M.; Unsworth, William P.","Synthesis of macrocyclic and medium-sized ring thiolactones <i>via</i> the ring expansion of lactams.","Organic & biomolecular chemistry","2021","19","6","1404","1411","10.1039/d0ob02502j","","x-ray","1.54184","CuKα","","0.0527","0.0416","","","0.0983","0.1049","","","","","","1.019","","","","has coordinates,has disorder","262718","2021-03-05","02:25:43",""
"7157848","9.1158","0.0002","9.9322","0.0003","34.9595","0.0009","90","","92.94","0.002","90","","3161.07","0.14","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-thia-5-azacycloheptadecane-4,17-dione","","- C15 H27 N O2 S -","- C15 H27 N O2 S -","- C120 H216 N8 O16 S8 -","8","2","","Palate, Kleopas Y.; Epton, Ryan G.; Whitwood, Adrian C.; Lynam, Jason M.; Unsworth, William P.","Synthesis of macrocyclic and medium-sized ring thiolactones <i>via</i> the ring expansion of lactams.","Organic & biomolecular chemistry","2021","19","6","1404","1411","10.1039/d0ob02502j","","x-ray","1.54184","CuKα","","0.0478","0.0442","","","0.1164","0.1172","","","","","","1.235","","","","has coordinates","262718","2021-03-05","02:25:46",""
"7157849","8.0303","0.0001","9.6259","0.0002","27.807","0.0006","90","","90","","90","","2149.45","0.07","110.05","0.1","110.05","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-thia-5-azacyclododecane-4,12-dione","","- C10 H17 N O2 S -","- C10 H17 N O2 S -","- C80 H136 N8 O16 S8 -","8","1","","Palate, Kleopas Y.; Epton, Ryan G.; Whitwood, Adrian C.; Lynam, Jason M.; Unsworth, William P.","Synthesis of macrocyclic and medium-sized ring thiolactones <i>via</i> the ring expansion of lactams.","Organic & biomolecular chemistry","2021","19","6","1404","1411","10.1039/d0ob02502j","","x-ray","1.54184","CuKα","","0.0323","0.0284","","","0.0709","0.0737","","","","","","1.037","","","","has coordinates","262718","2021-03-05","02:25:46",""
"7157850","4.7659","0.0003","12.6787","0.0007","11.0168","0.0006","90","","95.803","0.002","90","","662.28","0.07","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N O7 -","- C14 H15 N O7 -","- C28 H30 N2 O14 -","2","1","","Dong, Sanfeng; Zhao, Yitian; Shi, Yulong; Xu, Zhijian; Shen, Jingshan; Jia, Qi; Li, Yiming; Chen, Kaixian; Li, Bo; Zhu, Weiliang","One step stereoselective synthesis of oxazoline-fused saccharides and their conversion into the corresponding 1,2-<i>cis</i> glycosylamines bearing various protected groups.","Organic & biomolecular chemistry","2021","19","7","1580","1588","10.1039/d0ob02477e","","","1.54184","CuKα","","0.0293","0.0279","","","0.0652","0.0663","","","","","","1.042","","","","has coordinates","262722","2021-03-05","02:26:12",""
"7157851","10.0294","0.0004","10.8154","0.0006","19.2909","0.0009","90","","90","","90","","2092.52","0.17","292.9","0.1","292.9","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br O4 -","- C25 H21 Br O4 -","- C100 H84 Br4 O16 -","4","1","","Xu, Yan-Li; Qin, Zhou-Zhou; Wang, Yu-Xia; Zhao, Peng-Fei; Li, Hong-Feng; Du, Zhi-Hong; Da, Chao-Shan","Highly enantioselective one-pot sequential synthesis of valerolactones and pyrazolones bearing all-carbon quaternary stereocentres.","Organic & biomolecular chemistry","2021","19","7","1610","1615","10.1039/d0ob02489a","","x-ray","0.71073","MoKα","","0.074","0.0486","","","0.0865","0.0975","","","","","","1.038","","","","has coordinates","262725","2021-03-05","02:26:38",""
"7157852","7.0441","0.00019","16.2447","0.0004","18.72","0.0005","90","","90","","90","","2142.12","0.1","293.44","0.1","293.44","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 Cl N2 O3 -","- C25 H23 Cl N2 O3 -","- C100 H92 Cl4 N8 O12 -","4","1","","Xu, Yan-Li; Qin, Zhou-Zhou; Wang, Yu-Xia; Zhao, Peng-Fei; Li, Hong-Feng; Du, Zhi-Hong; Da, Chao-Shan","Highly enantioselective one-pot sequential synthesis of valerolactones and pyrazolones bearing all-carbon quaternary stereocentres.","Organic & biomolecular chemistry","2021","19","7","1610","1615","10.1039/d0ob02489a","","x-ray","1.54184","CuKα","","0.0496","0.0416","","","0.0957","0.1031","","","","","","1.038","","","","has coordinates","262725","2021-03-05","02:26:38",""
"7157853","8.431","0.0005","10.6418","0.0011","11.6712","0.0014","115.047","0.011","104.819","0.008","94.55","0.007","895.84","0.19","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 O3 S -","- C23 H18 O3 S -","- C46 H36 O6 S2 -","2","1","","Xie, Wucheng; Jian, Xinyi; Zhang, Liyang; Jin, Kexin; Shi, Junjun; Zhu, Feng","Synthesis of C3-sulfone substituted naphthols <i>via</i> rhodium(III)-catalyzed annulation of sulfoxonium ylides with alkynylsulfones.","Organic & biomolecular chemistry","2021","19","7","1498","1502","10.1039/d0ob02267e","","x-ray","0.71073","MoKα","","0.0935","0.0743","","","0.1566","0.1803","","","","","","1.099","","","","has coordinates","262726","2021-03-05","02:26:43",""
"7157854","8.1695","0.0006","11.1838","0.0009","12.1869","0.001","116.288","0.008","102.125","0.007","97.876","0.006","941.83","0.16","99.98","0.1","99.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 O3 S -","- C24 H20 O3 S -","- C48 H40 O6 S2 -","2","1","","Xie, Wucheng; Jian, Xinyi; Zhang, Liyang; Jin, Kexin; Shi, Junjun; Zhu, Feng","Synthesis of C3-sulfone substituted naphthols <i>via</i> rhodium(III)-catalyzed annulation of sulfoxonium ylides with alkynylsulfones.","Organic & biomolecular chemistry","2021","19","7","1498","1502","10.1039/d0ob02267e","","x-ray","0.71073","MoKα","","0.0546","0.0441","","","0.1087","0.1163","","","","","","1.042","","","","has coordinates","262726","2021-03-05","02:26:43",""
"7157855","10.234","0.003","14.235","0.005","30.529","0.012","90","","90","","90","","4447","3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 Cl N2 O3 -","- C26 H23 Cl N2 O3 -","- C208 H184 Cl8 N16 O24 -","8","2","","Guo, Xing; Chen, Xuling; Cheng, Yuyu; Chang, Xiaoyong; Li, Xuechen; Li, Pengfei","Organocatalytic enantioselective [2 + 4]-annulation of γ-substituted allenoates with <i>N</i>-acyldiazenes for the synthesis of optically active 1,3,4-oxadiazines.","Organic & biomolecular chemistry","2021","19","8","1727","1731","10.1039/d0ob02508a","","x-ray","0.71073","MoKα","","0.0554","0.0427","","","0.0901","0.0958","","","","","","1.02","","","","has coordinates","263831","2021-04-05","15:16:10",""
"7157856","10.6498","0.0004","10.95","0.0004","21.8176","0.0008","90","","104.078","0.002","90","","2467.85","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N2 O3 -","- C30 H34 N2 O3 -","- C120 H136 N8 O12 -","4","1","","Guo, Xing; Chen, Xuling; Cheng, Yuyu; Chang, Xiaoyong; Li, Xuechen; Li, Pengfei","Organocatalytic enantioselective [2 + 4]-annulation of γ-substituted allenoates with <i>N</i>-acyldiazenes for the synthesis of optically active 1,3,4-oxadiazines.","Organic & biomolecular chemistry","2021","19","8","1727","1731","10.1039/d0ob02508a","","x-ray","1.54178","CuKα","","0.0389","0.0359","","","0.0848","0.0864","","","","","","1.03","","","","has coordinates","263831","2021-04-05","15:16:19",""
"7157857","10.479","0.006","11.171","0.005","12.25","0.006","64.87","0.05","73.59","0.06","66.24","0.05","1177.4","1.2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Br N3 O2 S -","- C26 H18 Br N3 O2 S -","- C52 H36 Br2 N6 O4 S2 -","2","1","","Babu, Sheba Ann; A R, Rajalekshmi; P R, Nitha; Omanakuttan, Vishnu K.; P, Rahul; Varughese, Sunil; John, Jubi","Unprecedented access to functionalized pyrrolo[2,1-<i>a</i>]isoquinolines from the domino reaction of isoquinolinium ylides and electrophilic benzannulated heterocycles.","Organic & biomolecular chemistry","2021","19","8","1807","1817","10.1039/d1ob00005e","","","0.71073","MoKα","","0.1614","0.0729","","","0.1374","0.1722","","","","","","1.07","","","","has coordinates,has disorder","263827","2021-04-05","15:15:22",""
"7157858","15.23","0.009","14.373","0.008","18.32","0.011","90","","106.462","0.015","90","","3846","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 N2 O2 S2 -","- C50 H32 N2 O2 S2 -","- C200 H128 N8 O8 S8 -","4","1","","Babu, Sheba Ann; A R, Rajalekshmi; P R, Nitha; Omanakuttan, Vishnu K.; P, Rahul; Varughese, Sunil; John, Jubi","Unprecedented access to functionalized pyrrolo[2,1-<i>a</i>]isoquinolines from the domino reaction of isoquinolinium ylides and electrophilic benzannulated heterocycles.","Organic & biomolecular chemistry","2021","19","8","1807","1817","10.1039/d1ob00005e","","","0.71073","MoKα","","0.2278","0.0669","","","0.1278","0.1889","","","","","","0.987","","","","has coordinates","263827","2021-04-05","15:15:22",""
"7157859","11.1078","0.0007","14.2349","0.0009","14.7424","0.001","63.737","0.006","72.36","0.006","82.226","0.005","1992.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 F14 O14 S14 -","- C54 H33 F3 S3 -","- C108 H66 F6 S6 -","2","1","","Zhang, Yuan; Lai, Weiping; Zhang, Lianpeng; Gao, Xiaoxing; Qiu, Guanyinsheng; Zhou, Hongwei","The copper-catalyzed synthesis of (<i>Z</i>)-2<i>H</i>-naphtho[1,8-<i>bc</i>]thiophenes with solid emission.","Organic & biomolecular chemistry","2021","19","8","1827","1834","10.1039/d0ob02233k","","x-ray","0.71073","MoKα","","0.1103","0.0676","","","0.1703","0.2023","","","","","","1.027","","","","has coordinates","263828","2021-04-05","15:15:27",""
"7157860","7.84","0.0004","11.8374","0.0006","11.9176","0.0006","111.955","0.002","97.653","0.002","98.734","0.002","991.91","0.09","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","Compound-3f","2-Chloro-8-methoxy-6'-(trifluoromethyl)-6H-spiro[dibenzo[b,e]oxepine-11,3'-indolin]-2'-one","","- C23 H15 Cl F3 N O3 -","- C23 H15 Cl F3 N O3 -","- C46 H30 Cl2 F6 N2 O6 -","2","1","","Samikannu, Ramesh; Sethuraman, Sankaranarayanan; Akula, Nagaraja; Radhakrishnan, Vignesh; Kamisetti, Srinivasarao; Banu, Shabana; Vetrichelvan, Muthalagu; Gupta, Anuradha; Li, Jianqing; Rampulla, Richard; Mathur, Arvind","Solvent-specific, DAST-mediated intramolecular Friedel-Crafts reaction: access to dibenzoxepine-fused spirooxindoles.","Organic & biomolecular chemistry","2021","19","8","1760","1768","10.1039/d0ob02461a","","x-ray","1.54178","CuKα","","0.0452","0.0437","","","0.1213","0.1233","","","","","","1.096","","","","has coordinates","263829","2021-04-05","15:15:49",""
"7157861","10.3275","0.0007","14.0098","0.0009","15.4589","0.0011","90.549","0.002","108.062","0.002","101.778","0.002","2075.3","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","ORGANIC","","","- C28 H20 O3 -","- C28 H20 O3 -","- C112 H80 O12 -","4","2","","Muthusamy, Sengodagounder; Malarvizhi, Muthukumar; Suresh, Eringathodi","Catalyst-free synthesis of 3,1-benzoxathiin-4-ones/1,3-benzodioxin-4-ones.","Organic & biomolecular chemistry","2021","19","7","1508","1513","10.1039/d0ob02543g","","","0.71073","Mokα","","0.086","0.0588","","","0.1461","0.1675","","","","","","1.039","","","","has coordinates","262724","2021-03-05","02:26:28",""
"7157862","10.2296","0.0014","15.605","0.002","14.042","0.002","90","","93.949","0.002","90","","2236.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 F2 O2 S -","- C28 H18 F2 O2 S -","- C112 H72 F8 O8 S4 -","4","1","","Muthusamy, Sengodagounder; Malarvizhi, Muthukumar; Suresh, Eringathodi","Catalyst-free synthesis of 3,1-benzoxathiin-4-ones/1,3-benzodioxin-4-ones.","Organic & biomolecular chemistry","2021","19","7","1508","1513","10.1039/d0ob02543g","","","0.71073","MoKα","","0.0577","0.0506","","","0.1346","0.1423","","","","","","1.026","","","","has coordinates","262724","2021-03-05","02:26:30",""
"7157863","12.4218","0.00014","12.4218","0.00014","9.8189","0.0002","90","","90","","90","","1515.07","0.04","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C19 H13 N O5 -","- C19 H13 N O5 -","- C76 H52 N4 O20 -","4","1","","Kostenko, Alexey A.; Bykova, Kseniya A.; Kucherenko, Alexander S.; Komogortsev, Andrey N.; Lichitsky, Boris V.; Zlotin, Sergei G.","2-Nitroallyl carbonate-based green bifunctional reagents for catalytic asymmetric annulation reactions.","Organic & biomolecular chemistry","2021","19","8","1780","1786","10.1039/d0ob02283g","","","0.71073","MoKα","","0.0222","0.0205","","","0.0526","0.0541","","","","","","1.048","","","","has coordinates","263830","2021-04-05","15:16:01",""
"7157864","13.1376","0.0012","14.5412","0.0013","15.0949","0.0014","90","","102.733","0.002","90","","2812.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C128 H168 N8 O24 -","8","2","","Gao, Weiwei; Wang, Xiaodong; Yao, Linbin; Tang, Bencan; Mu, Guohao; Shi, Tao; Wang, Zhen","Synthesis of an isomer of lycoplanine A <i>via</i> cascade cyclization to construct the spiro-N,O-acetal moiety.","Organic & biomolecular chemistry","2021","19","8","1748","1751","10.1039/d0ob02399j","","","0.71073","MoKα","","0.0705","0.0448","","","0.1308","0.1553","","","","","","1.001","","","","has coordinates","263825","2021-04-05","15:15:10",""
"7157865","8.2965","0.0001","8.9484","0.0002","34.1519","0.0006","90","","90","","90","","2535.45","0.08","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N2 O3 -","- C27 H36 N2 O3 -","- C108 H144 N8 O12 -","4","1","","Kimura, Yuto; Uraguchi, Daisuke; Ooi, Takashi","Catalytic asymmetric synthesis of 5-membered alicyclic α-quaternary β-amino acids <i>via</i> [3 + 2]-photocycloaddition of α-substituted acrylates.","Organic & biomolecular chemistry","2021","19","8","1744","1747","10.1039/d1ob00126d","","","1.54187","CuKα","","0.0305","0.0301","","","0.0797","0.08","","","","","","1.058","","","","has coordinates","263826","2021-04-05","15:15:16",""
"7157866","7.2529","0.0003","12.9297","0.0005","13.0243","0.0005","85.469","0.003","82.621","0.003","73.765","0.003","1161.78","0.08","99.99","0.13","99.99","0.13","","","","","","","","4","P -1","-P 1","2","","methyl 5-amino-4-cyano-3-phenyl-1H-pyrrole-2-carboxylate","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","2","","Agafonova, Anastasiya V.; Funt, Liya D.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","An isoxazole strategy for the synthesis of alkyl 5-amino-4-cyano-1<i>H</i>-pyrrole-2-carboxylates - versatile building blocks for assembling pyrrolo-fused heterocycles.","Organic & biomolecular chemistry","2021","19","9","1976","1984","10.1039/d1ob00053e","","x-ray","1.54184","CuKα","","0.0385","0.0341","","","0.0881","0.092","","","","","","1.019","","","","has coordinates","263835","2021-04-05","15:16:51",""
"7157867","9.0455","0.0005","12.1947","0.0006","13.2917","0.0007","101.367","0.004","90.571","0.004","109.919","0.005","1346.68","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N2 O2 Se -","- C15 H14 N2 O2 Se -","- C60 H56 N8 O8 Se4 -","4","2","","Kumar, Manish; Chhillar, Babli; Yadav, Manisha; Sagar, Poonam; Singhal, Nitin K.; Gates, Paul J.; Butcher, Ray J.; Singh, Vijay P.","Catalytic and highly regenerable aminic organoselenium antioxidants with cytoprotective effects.","Organic & biomolecular chemistry","2021","19","9","2015","2022","10.1039/d0ob02368j","","","0.71073","MoKα","","0.1014","0.0888","","","0.2418","0.2492","","","","","","1.062","","","","has coordinates","263840","2021-04-05","15:18:17",""
"7157868","8.9364","0.0003","10.9906","0.0003","12.2832","0.0003","74.382","0.002","74.161","0.003","69.175","0.003","1064.71","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2-(benzylamino)-5-((4-methoxyphenyl)thio)-4-phenylnicotinonitrile","","- C26 H21 N3 O S -","- C26 H21 N3 O S -","- C52 H42 N6 O2 S2 -","2","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0391","0.039","","","0.1043","0.1044","","","","","","1.035","","","","has coordinates","263839","2021-04-05","15:17:29",""
"7157869","5.8187","0.0002","23.8383","0.0006","13.7274","0.0003","90","","97.246","0.002","90","","1888.89","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(benzylamino)-4,5-diphenylnicotinonitrile","","- C25 H19 N3 -","- C25 H19 N3 -","- C100 H76 N12 -","4","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0536","0.0507","","","0.1488","0.152","","","","","","1.116","","","","has coordinates","263839","2021-04-05","15:17:39",""
"7157870","11.3651","0.0002","11.1837","0.0002","23.1292","0.0004","90","","90","","90","","2939.81","0.09","100","0.1","100","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2'-(benzylamino)-[3,4'-bipyridine]-3'-carbonitrile","","- C18 H14 N4 -","- C18 H14 N4 -","- C144 H112 N32 -","8","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0432","0.042","","","0.1121","0.1133","","","","","","1.027","","","","has coordinates","263839","2021-04-05","15:17:43",""
"7157871","7.6769","0.0002","12.7598","0.0004","13.4914","0.0003","77.32","0.002","82.364","0.002","74.894","0.003","1240.75","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","2-(benzylamino)-5-chloro-4-methylnicotinonitrile","","- C28 H24 Cl2 N6 -","- C28 H24 Cl2 N6 -","- C56 H48 Cl4 N12 -","2","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0398","0.0385","","","0.104","0.1053","","","","","","1.024","","","","has coordinates","263839","2021-04-05","15:17:55",""
"7157872","5.3363","0.0001","11.5026","0.0002","25.9164","0.0005","94.122","0.002","94.41","0.002","102.197","0.002","1543.92","0.05","99.96","0.12","99.96","0.12","","","","","","","","5","P -1","-P 1","2","","2-(benzylamino)-4-methyl-5-((2,2,2-trifluoroethyl)thio)nicotinonitrile","","- C16 H14 F3 N3 S -","- C16 H14 F3 N3 S -","- C64 H56 F12 N12 S4 -","4","2","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0621","0.0605","","","0.166","0.1684","","","","","","1.021","","","","has coordinates","263839","2021-04-05","15:17:58",""
"7157873","14.1835","0.0002","24.2903","0.0004","6.0587","0.0001","90","","92.304","0.001","90","","2085.66","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-((4-methoxyphenyl)thio)-4-(4-nitrophenyl)-2-(propylamino)nicotinonitrile","","- C22 H20 N4 O3 S -","- C22 H20 N4 O3 S -","- C88 H80 N16 O12 S4 -","4","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0405","0.038","","","0.1059","0.1077","","","","","","1.075","","","","has coordinates","263839","2021-04-05","15:18:08",""
"7157874","8.9145","0.0007","9.9325","0.0008","10.1186","0.0008","87.116","0.006","69.183","0.007","70.272","0.007","785.82","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Br N O2 -","- C18 H16 Br N O2 -","- C36 H32 Br2 N2 O4 -","2","1","","Wang, Yu-Chao; Huang, Keke; Lai, Xiaojing; Shi, Zhongning; Liu, Jin-Biao; Qiu, Guanyinsheng","Radical bromination-induced <i>ipso</i> cyclization-<i>ortho</i> cyclization sequence of <i>N</i>-hydroxylethyl-<i>N</i>-arylpropiolamides.","Organic & biomolecular chemistry","2021","19","9","1940","1944","10.1039/d1ob00010a","","","0.71073","MoKα","","0.1027","0.0644","","","0.1384","0.158","","","","","","1.082","","","","has coordinates","263834","2021-04-05","15:16:45",""
"7157875","10.6472","0.0002","32.4978","0.0006","11.2031","0.0002","90","","100.67","0.002","90","","3809.37","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O3 S -","- C19 H23 N O3 S -","- C152 H184 N8 O24 S8 -","8","2","","Gao, Erhui; Peng, Cheng; Zhang, Jingyi; Wang, Xiao-Na; Chang, Junbiao","Metal-free hydroalkoxylation of ynesulfonamides with esters.","Organic & biomolecular chemistry","2021","19","10","2182","2185","10.1039/d0ob02575e","","x-ray","1.54184","CuKα","","0.0629","0.0489","","","0.1388","0.155","","","","","","1.02","","","","has coordinates","263823","2021-04-05","15:14:54",""
"7157876","12.8604","0.00016","17.5424","0.0003","28.9789","0.0004","90","","90","","90","","6537.71","0.17","291","2","291.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H36 N2 O5 S2 -","- C34 H36 N2 O5 S2 -","- C272 H288 N16 O40 S16 -","8","1","","Gao, Erhui; Peng, Cheng; Zhang, Jingyi; Wang, Xiao-Na; Chang, Junbiao","Metal-free hydroalkoxylation of ynesulfonamides with esters.","Organic & biomolecular chemistry","2021","19","10","2182","2185","10.1039/d0ob02575e","","","1.54184","CuKα","","0.0594","0.0483","","","0.1315","0.1424","","","","","","1.054","","","","has coordinates","263823","2021-04-05","15:14:54",""
"7157877","27.115","0.0007","11.5861","0.0003","18.6719","0.0005","90","","105.101","0.001","90","","5663.3","0.3","193","2","193.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H22 B F2 N5 O -","- C37 H22 B F2 N5 O -","- C296 H176 B8 F16 N40 O8 -","8","1","","Liu, Hui; Xue, Jiaying; Wang, Sisi; Wu, Fan; Zhao, Yue; Shen, Zhen","Thermal switches between delayed fluorescence and persistent phosphorescence based on a keto-BODIPY electron acceptor.","Organic & biomolecular chemistry","2021","19","9","2030","2037","10.1039/d0ob02390f","","","1.34139","GaKα","","0.0579","0.0399","","","0.092","0.1016","","","","","","1.035","","","","has coordinates","263837","2021-04-05","15:17:07",""
"7157878","8.939","0.008","9.493","0.008","17.408","0.016","88.857","0.013","84.196","0.014","88.477","0.012","1469","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H22 B F2 N5 O -","- C39 H22 B F2 N5 O -","- C78 H44 B2 F4 N10 O2 -","2","1","","Liu, Hui; Xue, Jiaying; Wang, Sisi; Wu, Fan; Zhao, Yue; Shen, Zhen","Thermal switches between delayed fluorescence and persistent phosphorescence based on a keto-BODIPY electron acceptor.","Organic & biomolecular chemistry","2021","19","9","2030","2037","10.1039/d0ob02390f","","","0.71073","MoKα","","0.1448","0.0621","","","0.1534","0.2032","","","","","","0.957","","","","has coordinates","263837","2021-04-05","15:17:07",""
"7157879","11.427","0.001","10.282","0.0009","13.6992","0.0012","90","","99.468","0.003","90","","1587.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 B O2 S -","- C18 H19 B O2 S -","- C72 H76 B4 O8 S4 -","4","1","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.06","0.0414","","","0.1119","0.1297","","","","","","1.067","","","","has coordinates","263836","2021-04-05","15:16:59",""
"7157880","8.626","0.0005","9.2018","0.0005","22.6467","0.0011","90","","90","","90","","1797.58","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O S2 -","- C19 H23 N O S2 -","- C76 H92 N4 O4 S8 -","4","1","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.0475","0.0392","","","0.0849","0.0894","","","","","","1.056","","","","has coordinates,has disorder","263836","2021-04-05","15:17:00",""
"7157881","6.0539","0.0008","21.767","0.003","8.6784","0.0012","90","","97.314","0.005","90","","1134.3","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O S -","- C15 H12 O S -","- C60 H48 O4 S4 -","4","1","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.0648","0.0479","","","0.1068","0.1146","","","","","","1.068","","","","has coordinates","263836","2021-04-05","15:17:00",""
"7157882","7.6092","0.0014","3.8618","0.0007","32.437","0.007","90","","96.374","0.008","90","","947.3","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 N S -","- C13 H7 N S -","- C52 H28 N4 S4 -","4","1","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.0491","0.0448","","","0.1131","0.1159","","","","","","1.126","","","","has coordinates","263836","2021-04-05","15:17:00",""
"7157883","8.2143","0.0004","8.2225","0.0005","35.165","0.002","89.531","0.002","89.289","0.002","78.488","0.002","2327.1","0.2","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H28 F12 O4 S4 -","- C56 H28 F12 O4 S4 -","- C112 H56 F24 O8 S8 -","2","1","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.0723","0.0498","","","0.1223","0.1373","","","","","","1.025","","","","has coordinates","263836","2021-04-05","15:17:00",""
"7157884","17.962","0.003","10.2398","0.0015","11.0654","0.0016","90","","93.763","0.006","90","","2030.8","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C104 H96 O16 -","4","1","","Chang, Meng-Yang; Tsai, Min-Chen","Synthesis of benzofused cyclobutaoxepanones <i>via</i> intramolecular annulation of <i>o</i>-cinnamyl chalcones.","Organic & biomolecular chemistry","2021","19","10","2254","2268","10.1039/d1ob00058f","","","0.71073","MoKα","","0.0878","0.0733","","","0.2118","0.2262","","","","","","1.082","","","","has coordinates","263822","2021-04-05","15:14:46",""
"7157885","9.4174","0.0005","10.5047","0.0005","11.707","0.0006","92.823","0.002","108.693","0.002","109.839","0.002","1015.58","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C52 H48 O8 -","2","1","","Chang, Meng-Yang; Tsai, Min-Chen","Synthesis of benzofused cyclobutaoxepanones <i>via</i> intramolecular annulation of <i>o</i>-cinnamyl chalcones.","Organic & biomolecular chemistry","2021","19","10","2254","2268","10.1039/d1ob00058f","","","0.71073","MoKα","","0.0443","0.0361","","","0.0856","0.0909","","","","","","1.026","","","","has coordinates","263822","2021-04-05","15:14:46",""
"7157886","13.873","0.0007","22.7202","0.0012","6.3384","0.0003","90","","98.843","0.002","90","","1974.1","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C104 H96 O16 -","4","1","","Chang, Meng-Yang; Tsai, Min-Chen","Synthesis of benzofused cyclobutaoxepanones <i>via</i> intramolecular annulation of <i>o</i>-cinnamyl chalcones.","Organic & biomolecular chemistry","2021","19","10","2254","2268","10.1039/d1ob00058f","","","0.71073","MoKα","","0.0849","0.0716","","","0.1719","0.1787","","","","","","1.131","","","","has coordinates","263822","2021-04-05","15:14:46",""
"7157887","27.5645","0.0011","7.0521","0.0003","22.8442","0.001","90","","114.574","0.001","90","","4038.4","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 F O4 -","- C26 H23 F O4 -","- C208 H184 F8 O32 -","8","1","","Chang, Meng-Yang; Tsai, Min-Chen","Synthesis of benzofused cyclobutaoxepanones <i>via</i> intramolecular annulation of <i>o</i>-cinnamyl chalcones.","Organic & biomolecular chemistry","2021","19","10","2254","2268","10.1039/d1ob00058f","","","0.71073","MoKα","","0.0412","0.0345","","","0.0835","0.0881","","","","","","1.031","","","","has coordinates","263822","2021-04-05","15:14:46",""
"7157888","9.6698","0.0008","13.6733","0.0012","15.2154","0.0012","107.614","0.004","91.299","0.004","93.979","0.004","1910.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","c-18b","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","2","","Marquès, Clàudia; Diaba, Faïza; Roca, Jaume; Bonjoch, Josep","Synthesis and reactivity of hydroindole enelactams leading to densely functionalized scaffolds.","Organic & biomolecular chemistry","2021","19","10","2284","2301","10.1039/d1ob00060h","","","0.71073","MoKα","","0.0582","0.0461","","","0.1124","0.1196","","","","","","1.051","","","","has coordinates","263824","2021-04-05","15:15:01",""
"7157889","8.443","0.003","7.818","0.003","29.113","0.011","90","","96.255","0.012","90","","1910.2","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7a*","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C84 H100 N4 O20 -","4","1","","Marquès, Clàudia; Diaba, Faïza; Roca, Jaume; Bonjoch, Josep","Synthesis and reactivity of hydroindole enelactams leading to densely functionalized scaffolds.","Organic & biomolecular chemistry","2021","19","10","2284","2301","10.1039/d1ob00060h","","","0.71073","MoKα","","0.0654","0.047","","","0.1164","0.1356","","","","","","1.049","","","","has coordinates","263824","2021-04-05","15:15:01",""
"7157890","7.6249","0.0005","9.1227","0.0005","12.8047","0.0009","85.841","0.005","88.2","0.005","81.018","0.005","877.27","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H12 O6 S -","- C19 H12 O6 S -","- C38 H24 O12 S2 -","2","1","","Zhou, Wei; Tian, You-Ping; Zhou, Hao-Jie; Wang, Hui-Juan; Ren, Yan; Liu, Xiong-Li","Synthesis of methanesulfone-containing tetrasubstituted carbon stereocenters.","Organic & biomolecular chemistry","2021","19","10","2269","2276","10.1039/d1ob00071c","","x-ray","0.71073","MoKα","","0.0532","0.047","","","0.1165","0.1205","","","","","","1.097","","","","has coordinates","263820","2021-04-05","15:14:31",""
"7157891","9.5039","0.0012","8.281","0.002","24.124","0.008","90","","96.831","0.02","90","","1885.1","0.8","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 F6 N2 O S2 -","- C17 H16 F6 N2 O S2 -","- C68 H64 F24 N8 O4 S8 -","4","1","","Ellaby, Rebecca J.; Clark, Ewan R.; Allen, Nyasha; Taylor, Faith R.; Ng, Kendrick K. L.; Dimitrovski, Milan; Chu, Dominique F.; Mulvihill, Daniel P.; Hiscock, Jennifer R.","Identification of organophosphorus simulants for the development of next-generation detection technologies.","Organic & biomolecular chemistry","2021","19","9","2008","2014","10.1039/d0ob02523b","","x-ray","1.54184","CuKα","","0.1461","0.0709","","","0.1394","0.18","","","","","","0.981","","","","has coordinates,has disorder","263833","2021-04-05","15:16:40",""
"7157892","31.342","0.006","5.8152","0.0012","29.181","0.006","90","","115.2","0.03","90","","4812","2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N2 -","- C30 H30 N2 -","- C240 H240 N16 -","8","2","","Liu, Anan; Ma, Dongge; Qian, Yuhang; Li, Jundan; Zhai, Shan; Wang, Yi; Chen, Chuncheng","A powerful azomethine ylide route mediated by TiO<sub>2</sub> photocatalysis for the preparation of polysubstituted imidazolidines.","Organic & biomolecular chemistry","2021","19","10","2192","2197","10.1039/d0ob02277b","","","0.71073","MoKα","","0.1324","0.1029","","","0.1467","0.1564","","","","","","1.287","","","","has coordinates","263821","2021-04-05","15:14:38",""
"7157893","14.183","0.018","7.331","0.009","14.82","0.02","90","","111.951","0.011","90","","1429","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O3 S -","- C13 H19 N O3 S -","- C52 H76 N4 O12 S4 -","4","1","","Vankar, Jigarkumar K.; Gupta, Ankush; Jadav, Jaydeepbhai P.; Nanjegowda, Shankara H.; Gururaja, Guddeangadi N.","The thioamidation of gem-dibromoalkenes in an aqueous medium.","Organic & biomolecular chemistry","2021","19","11","2473","2480","10.1039/d0ob02319a","","","0.71075","MoKα","","0.1002","0.0679","","","0.1725","0.1974","","","","","","1.069","","","","has coordinates","263850","2021-04-05","15:19:20",""
"7157894","8.6212","0.0009","11.7654","0.0012","12.0329","0.0012","90","","100.743","0.005","90","","1199.1","0.2","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 Cl N O2 -","- C28 H26 Cl N O2 -","- C56 H52 Cl2 N2 O4 -","2","1","","Zhao, Ling; Li, Guanlin; He, Rui; Liu, Penglin; Wang, Feijun; Huo, Xiaohong; Zhao, Min; Zhang, Wanbin","Stereodivergent Pd/Cu catalysis: asymmetric alkylation of racemic symmetrical 1,3-diphenyl allyl acetates.","Organic & biomolecular chemistry","2021","19","9","1955","1959","10.1039/d0ob02499f","","","1.54178","CuKα","","0.0861","0.0511","","","0.1545","0.1678","","","","","","1.059","","","","has coordinates","263838","2021-04-05","15:17:15",""
"7157895","11.768","0.003","8.713","0.004","12.22","0.004","90","","96.67","0.02","90","","1244.5","0.8","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H29 N O3 -","- C29 H29 N O3 -","- C58 H58 N2 O6 -","2","1","","Zhao, Ling; Li, Guanlin; He, Rui; Liu, Penglin; Wang, Feijun; Huo, Xiaohong; Zhao, Min; Zhang, Wanbin","Stereodivergent Pd/Cu catalysis: asymmetric alkylation of racemic symmetrical 1,3-diphenyl allyl acetates.","Organic & biomolecular chemistry","2021","19","9","1955","1959","10.1039/d0ob02499f","","","1.54178","CuKα","","0.0467","0.0415","","","0.1152","0.1222","","","","","","1.046","","","","has coordinates","263838","2021-04-05","15:17:15",""
"7157896","14.0371","0.0004","18.7861","0.0004","13.4704","0.0003","90","","113.45","0.003","90","","3258.79","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Br Cl2 N3 O2 -","- C37 H32 Br Cl2 N3 O2 -","- C148 H128 Br4 Cl8 N12 O8 -","4","1","","Li, Chunmei; Yang, Xiaopeng; Zhang, Furen; Qi, Chenze; Shen, Zhenlu","Simple and efficient one-pot multi-step strategy for the synthesis of 2-substituted (1,2,5-triarylpyrrolo[3,2-c]pyridin-3-yl)-N-arylacetamide derivatives in water.","Organic & biomolecular chemistry","2021","19","11","2526","2532","10.1039/d1ob00190f","","x-ray","1.54184","CuKα","","0.0653","0.0604","","","0.177","0.1867","","","","","","1.085","","","","has coordinates","263842","2021-04-05","15:18:30",""
"7157897","15.0149","0.0011","6.9413","0.0005","28.0824","0.0018","90","","102.467","0.002","90","","2857.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cl N3 O2 S -","- C27 H24 Cl N3 O2 S -","- C108 H96 Cl4 N12 O8 S4 -","4","1","","Jin, Shengnan; Chen, Fan; Qian, Pengcheng; Cheng, Jiang","Cyanoalkylation/alkynylation of allylic alcohol through intramolecular radical 1,2-alkynyl migration.","Organic & biomolecular chemistry","2021","19","11","2416","2419","10.1039/d1ob00192b","","","0.71073","MoKα","","0.0702","0.0447","","","0.1113","0.1232","","","","","","1.004","","","","has coordinates","263846","2021-04-05","15:18:53",""
"7157898","10.0012","0.0008","22.074","0.002","10.7284","0.001","90","","90.349","0.003","90","","2368.4","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O2 S -","- C28 H26 N2 O2 S -","- C112 H104 N8 O8 S4 -","4","1","","Chen, Zhuo; Nie, Xiao-Di; Sun, Jian-Ting; Yang, Ai-Mei; Wei, Bang-Guo","Zn(OTf)<sub>2</sub>-catalyzed hydroamination of ynamides with aromatic amines.","Organic & biomolecular chemistry","2021","19","11","2492","2501","10.1039/d0ob02603d","","","0.71073","MoKα","","0.0994","0.0608","","","0.1143","0.1316","","","","","","1.118","","","","has coordinates","263851","2021-04-05","15:19:25",""
"7157899","11.592","0.003","7.715","0.0015","19.848","0.005","90","","105.237","0.007","90","","1712.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N3 O4 P -","- C17 H20 N3 O4 P -","- C68 H80 N12 O16 P4 -","4","1","","Teixeira, Fátima C; Lucas, Carla; Curto, M João M; André, Vânia; Duarte, M. Teresa; Teixeira, António P S","Synthesis of novel pyrazolo[3,4-b]quinolinebisphosphonic acids and an unexpected intramolecular cyclization and phosphonylation reaction.","Organic & biomolecular chemistry","2021","19","11","2533","2545","10.1039/d1ob00025j","","","0.71073","MoKα","","0.1303","0.0817","","","0.196","0.2347","","","","","","0.96","","","","has coordinates","263845","2021-04-05","15:18:47",""
"7157900","7.8318","0.001","10.2797","0.0013","21.689","0.003","90","","98.47","0.006","90","","1727.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N3 O4 P -","- C17 H20 N3 O4 P -","- C68 H80 N12 O16 P4 -","4","1","","Teixeira, Fátima C; Lucas, Carla; Curto, M João M; André, Vânia; Duarte, M. Teresa; Teixeira, António P S","Synthesis of novel pyrazolo[3,4-b]quinolinebisphosphonic acids and an unexpected intramolecular cyclization and phosphonylation reaction.","Organic & biomolecular chemistry","2021","19","11","2533","2545","10.1039/d1ob00025j","","","0.71073","MoKα","","0.1096","0.0825","","","0.2171","0.2458","","","","","","1.04","","","","has coordinates","263845","2021-04-05","15:18:47",""
"7157901","7.40072","0.00018","9.1371","0.0003","18.7024","0.0006","90","","90","","90","","1264.68","0.07","150","0.2","150","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 F N O5 -","- C13 H14 F N O5 -","- C52 H56 F4 N4 O20 -","4","1","","Sperga, Arturs; Kazia, Armands; Veliks, Janis","Monofluorinated 5-membered rings via fluoromethylene transfer: synthesis of monofluorinated isoxazoline N-oxides.","Organic & biomolecular chemistry","2021","19","12","2688","2691","10.1039/d1ob00270h","","x-ray","1.54184","CuKα","","0.0449","0.0371","","","0.0779","0.0825","","","","","","1.202","","","","has coordinates","263855","2021-04-05","15:20:09",""
"7157902","6.781","0.003","22.97","0.009","8.2131","0.0019","90","","91.101","0.019","90","","1279","0.8","170","0.2","170","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F N2 O6 -","- C12 H11 F N2 O6 -","- C48 H44 F4 N8 O24 -","4","1","","Sperga, Arturs; Kazia, Armands; Veliks, Janis","Monofluorinated 5-membered rings via fluoromethylene transfer: synthesis of monofluorinated isoxazoline N-oxides.","Organic & biomolecular chemistry","2021","19","12","2688","2691","10.1039/d1ob00270h","","x-ray","1.54184","CuKα","","0.0883","0.0746","","","0.1915","0.2043","","","","","","1.07","","","","has coordinates","263855","2021-04-05","15:20:09",""
"7157903","12.4119","0.0004","4.1382","0.0001","18.5166","0.0006","90","","94.868","0.003","90","","947.64","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 I O3 -","- C9 H6 I O3 -","- C36 H24 I4 O12 -","4","1","","Shimbo, Daisuke; Maruyama, Toshifumi; Tada, Norihiro; Itoh, Akichika","N-Alkenylation of hydroxamic acid derivatives with ethynyl benziodoxolone to synthesize cis-enamides through vinyl benziodoxolones.","Organic & biomolecular chemistry","2021","19","11","2442","2447","10.1039/d1ob00055a","","","0.71073","MoKα","","0.0309","0.0218","","","0.0472","0.0508","","","","","","1.062","","","","has coordinates","263843","2021-04-05","15:18:35",""
"7157904","8.9812","0.0003","10.2319","0.0003","22.2899","0.0006","90","","96.794","0.003","90","","2033.94","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 I N O4 -","- C23 H18 I N O4 -","- C92 H72 I4 N4 O16 -","4","1","","Shimbo, Daisuke; Maruyama, Toshifumi; Tada, Norihiro; Itoh, Akichika","N-Alkenylation of hydroxamic acid derivatives with ethynyl benziodoxolone to synthesize cis-enamides through vinyl benziodoxolones.","Organic & biomolecular chemistry","2021","19","11","2442","2447","10.1039/d1ob00055a","","","0.71073","MoKα","","0.0301","0.0247","","","0.075","0.0783","","","","","","1.154","","","","has coordinates","263843","2021-04-05","15:18:35",""
"7157905","8.7105","0.0006","9.787","0.0007","10.2324","0.0012","107.954","0.007","100.92","0.007","104.829","0.005","767.28","0.13","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C23 H16 -","- C23 H16 -","- C46 H32 -","2","1","","Sahu, Archana K.; Unnava, Ramanjaneyulu; Behera, Bipin K.; Saikia, Anil K.","Synthesis of dibenzocyclohepta[1,2-a]naphthalene derivatives from phenylacetaldehyde and alkynyl benzyl alcohols via sequential electrophilic addition and double Friedel-Crafts reactions.","Organic & biomolecular chemistry","2021","19","11","2430","2435","10.1039/d1ob00057h","","","0.71073","MoKα","","0.1172","0.0606","","","0.1672","0.1977","","","","","","1.031","","","","has coordinates","263841","2021-04-05","15:18:24",""
"7157906","9.8016","0.0006","12.5556","0.0007","14.0526","0.0008","90","","108.162","0.003","90","","1643.22","0.17","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Sahu, Archana K.; Unnava, Ramanjaneyulu; Behera, Bipin K.; Saikia, Anil K.","Synthesis of dibenzocyclohepta[1,2-a]naphthalene derivatives from phenylacetaldehyde and alkynyl benzyl alcohols via sequential electrophilic addition and double Friedel-Crafts reactions.","Organic & biomolecular chemistry","2021","19","11","2430","2435","10.1039/d1ob00057h","","","0.71073","MoKα","","0.0715","0.0517","","","0.1455","0.1611","","","","","","1.074","","","","has coordinates","263841","2021-04-05","15:18:24",""
"7157907","10.6922","0.0006","8.9341","0.0008","17.5905","0.0013","90","","98.505","0.006","90","","1661.9","0.2","99.9","0.4","99.9","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Br N2 O S -","- C18 H15 Br N2 O S -","- C72 H60 Br4 N8 O4 S4 -","4","1","","Gu, Qingyun; Wang, Qiyang; Dai, Wenjing; Wang, Xin; Ban, Yingguo; Liu, Tianqing; Zhao, Yu; Zhang, Yanan; Ling, Yong; Zeng, Xiaobao","K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-mediated regio- and stereo-selective thiocyanation of enamides with NH<sub>4</sub>SCN.","Organic & biomolecular chemistry","2021","19","11","2512","2516","10.1039/d1ob00156f","","x-ray","0.71073","MoKα","","0.0607","0.0482","","","0.1103","0.1207","","","","","","1.072","","","","has coordinates","263847","2021-04-05","15:18:58",""
"7157908","10.721","0.0007","14.6163","0.0011","12.7288","0.0011","90","","97.406","0.007","90","","1978","0.3","299","0.1","299","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 N4 O4 -","- C20 H18 Cl2 N4 O4 -","- C80 H72 Cl8 N16 O16 -","4","1","","Conboy, Darren; Kielty, Patrick; Bear, Joseph C.; Cockcroft, Jeremy K.; Farràs, Pau; McArdle, Patrick; Singer, Richard J.; Smith, Dennis A.; Aldabbagh, Fawaz","Ring-fused dimethoxybenzimidazole-benzimidazolequinone (DMBBQ): tunable halogenation and quinone formation using NaX/Oxone.","Organic & biomolecular chemistry","2021","19","12","2716","2724","10.1039/d1ob00032b","","","0.71073","MoKα","","0.1107","0.0599","","","0.1393","0.1726","","","","","","1.027","","","","has coordinates","263856","2021-04-05","15:20:16",""
"7157909","16.9129","0.0003","16.433","0.0002","8.5648","0.0002","90","","104.382","0.002","90","","2305.81","0.08","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","8''-chloro-6'',9''-dimethoxy-8-(trifluoromethyl)-[7,7''-bipyrido[1,2-a]benzimidazole]-6,9-dione","","- C25 H22 Cl F3 N4 O4 -","- C25 H22 Cl F3 N4 O4 -","- C100 H88 Cl4 F12 N16 O16 -","4","1","","Conboy, Darren; Kielty, Patrick; Bear, Joseph C.; Cockcroft, Jeremy K.; Farràs, Pau; McArdle, Patrick; Singer, Richard J.; Smith, Dennis A.; Aldabbagh, Fawaz","Ring-fused dimethoxybenzimidazole-benzimidazolequinone (DMBBQ): tunable halogenation and quinone formation using NaX/Oxone.","Organic & biomolecular chemistry","2021","19","12","2716","2724","10.1039/d1ob00032b","","x-ray","1.54184","CuKα","","0.0428","0.0378","","","0.097","0.1019","","","","","","1.055","","","","has coordinates","263856","2021-04-05","15:20:16",""
"7157910","23.3635","0.0002","9.5879","0.0001","17.6817","0.0002","90","","90","","90","","3960.82","0.07","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","7''-bromo-5'',8''-dimethoxy-[6,6''-bipyrrolo[1,2-a]benzimidazole]-5,8-dione","","- C22 H19 Br N4 O4 -","- C22 H19 Br N4 O4 -","- C176 H152 Br8 N32 O32 -","8","1","","Conboy, Darren; Kielty, Patrick; Bear, Joseph C.; Cockcroft, Jeremy K.; Farràs, Pau; McArdle, Patrick; Singer, Richard J.; Smith, Dennis A.; Aldabbagh, Fawaz","Ring-fused dimethoxybenzimidazole-benzimidazolequinone (DMBBQ): tunable halogenation and quinone formation using NaX/Oxone.","Organic & biomolecular chemistry","2021","19","12","2716","2724","10.1039/d1ob00032b","","x-ray","1.54184","CuKα","","0.0434","0.0431","","","0.1161","0.1163","","","","","","1.153","","","","has coordinates,has disorder","263856","2021-04-05","15:20:16",""
"7157911","3.7961","0.0001","7.4931","0.0003","22.9246","0.0009","90","","99.5201","0.0013","90","","643.1","0.04","170","2","170","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N2 O -","- C7 H6 N2 O -","- C28 H24 N8 O4 -","4","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0688","0.0574","","","0.1432","0.153","","","","","","1.121","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157912","8.9692","0.0001","18.2082","0.0002","9.2058","0.0001","90","","106.444","0.0007","90","","1441.93","0.03","170","0.1","170","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Cl N3 O2 -","- C12 H22 Cl N3 O2 -","- C48 H88 Cl4 N12 O8 -","4","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0485","0.04","","","0.0936","0.0977","","","","","","1.031","","","","has coordinates,has disorder","263857","2021-04-05","15:20:30",""
"7157913","20.1831","0.0003","7.18245","0.00012","30.464","0.0005","90","","102.664","0.0017","90","","4308.76","0.12","123","0.1","123","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H31 Cl N6 O6 -","- C18 H31 Cl N6 O6 -","- C144 H248 Cl8 N48 O48 -","8","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","x-ray","1.54184","CuKα","","0.0664","0.062","","","0.183","0.1899","","","","","","1.05","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157914","8.5903","0.0002","14.7776","0.0004","15.1797","0.0004","87.837","0.002","73.679","0.002","82.1","0.002","1831.77","0.08","223","0.1","223","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H23 Cl N6 O4 -","- C14 H23 Cl N6 O4 -","- C56 H92 Cl4 N24 O16 -","4","2","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","x-ray","1.54184","CuKα","","0.046","0.0445","","","0.1209","0.1231","","","","","","1.042","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157915","9.3183","0.0007","9.8382","0.0007","11.2711","0.0008","78.16","0.006","78.258","0.006","73.277","0.006","956.95","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H25 N3 O8 S2 -","- C13 H25 N3 O8 S2 -","- C26 H50 N6 O16 S4 -","2","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0505","0.0425","","","0.1101","0.116","","","","","","1.04","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157916","4.4199","0.0003","11.7058","0.0006","20.2357","0.0015","90","","93.014","0.006","90","","1045.52","0.12","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Cl2 N3 O -","- C7 H11 Cl2 N3 O -","- C28 H44 Cl8 N12 O4 -","4","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0472","0.0376","","","0.0908","0.0966","","","","","","1.066","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157917","6.7656","0.0002","9.4132","0.0002","10.2539","0.0002","108.309","0.0011","96.718","0.0011","102.189","0.001","594.05","0.03","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C9 H16 Cl N3 O3 -","- C9 H16 Cl N3 O3 -","- C18 H32 Cl2 N6 O6 -","2","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0497","0.0404","","","0.0979","0.1038","","","","","","1.054","","","","has coordinates,has disorder","263857","2021-04-05","15:20:30",""
"7157918","6.577","0.0002","10.7154","0.0003","15.0191","0.0004","90","","90","","90","","1058.47","0.05","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N3 O2 -","- C10 H15 N3 O2 -","- C40 H60 N12 O8 -","4","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0435","0.0417","","","0.1072","0.109","","","","","","1.052","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157919","10.14","0.0008","4.0229","0.0004","10.8744","0.0012","90","","98.89","0.007","90","","438.26","0.07","170","0.1","170","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H13 N3 O3 -","- C7 H13 N3 O3 -","- C14 H26 N6 O6 -","2","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0998","0.063","","","0.1466","0.1688","","","","","","1.058","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157920","4.3443","0.0004","14.5191","0.0009","15.9472","0.0015","90","","113.446","0.011","90","","922.83","0.15","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Cl N6 O4 -","- C14 H23 Cl N6 O4 -","- C28 H46 Cl2 N12 O8 -","2","0.5","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0635","0.044","","","0.0975","0.1095","","","","","","1.028","","","","has coordinates,has disorder","263857","2021-04-05","15:20:30",""
"7157921","14.7267","0.0007","36.335","0.0018","7.3619","0.0004","90","","90.269","0.004","90","","3939.3","0.3","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19.669 N3 O5.735 -","- C9 H19.6693 N3 O5.73467 -","- C108 H236.032 N36 O68.816 -","12","3","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","x-ray","1.54184","CuKα","","0.1146","0.0889","","","0.2339","0.2503","","","","","","1.112","","","","has coordinates,has disorder","263857","2021-04-05","15:20:30",""
"7157922","7.972","0.003","9.389","0.003","13.279","0.005","85.406","0.017","84.165","0.019","67.62","0.018","913.4","0.6","170","2","170","","","","","","","","","4","P -1","-P 1","2","","(4-Chlorophenyl)(3,5-diphenylcyclopent-2-en-1-yl)methanone","","- C24 H19 Cl O -","- C24 H19 Cl O -","- C48 H38 Cl2 O2 -","2","1","","Li, Ya-Qiong; Xu, Guo-Dong; Huang, Zhi-Zhen","An organophosphorus-mediated cross-Rauhut-Currier/Wittig domino reaction for the efficient synthesis of trisubstituted cyclopentenes.","Organic & biomolecular chemistry","2021","19","11","2487","2491","10.1039/d1ob00150g","","","0.71073","MoKα","","0.0413","0.0372","","","0.094","0.0972","","","","","","1.047","","","","has coordinates","263849","2021-04-05","15:19:15",""
"7157923","5.2488","0.0002","7.5956","0.0003","33.4224","0.0012","90","","90","","90","","1332.48","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","1","","Liang, Leilei; Li, Ji; Shen, Baochun; Zhang, Yili; Liu, Jianping; Chen, Jingbo; Liu, Dandan","The effect of carbonyl on the isomerization of a galanthan ring system and total synthesis of (±)-β-lycorane.","Organic & biomolecular chemistry","2021","19","12","2767","2772","10.1039/d0ob02398a","","","1.54178","CuKα","","0.0282","0.0278","","","0.0734","0.0737","","","","","","1.057","","","","has coordinates","263853","2021-04-05","15:19:42",""
"7157924","11.4303","0.0007","23.178","0.0016","10.3616","0.0008","90","","91.78","0.006","90","","2743.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","2","","Han, Xiao-Dan; Peng, Gao-Liang; Wang, Hui-Bin; Wu, Lei; Fu, Jian-Ping; Tang, Zhong-Sheng; Hu, Ju-Wu; Xiong, Wei","Novel synthesis of fused spiro piperidone-cyclopropanes from cyclopropyl amides and electron-deficient alkenes.","Organic & biomolecular chemistry","2021","19","14","3191","3198","10.1039/d1ob00214g","","x-ray","0.71073","MoKα","","0.0857","0.0728","","","0.2014","0.2095","","","","","","1.107","","","","has coordinates","264951","2021-05-05","09:03:55",""
"7157925","15.2387","0.0004","10.3818","0.0004","9.6545","0.0003","90","","90","","90","","1527.39","0.09","150","0.1","150","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","0.5","","Han, Xiao-Dan; Peng, Gao-Liang; Wang, Hui-Bin; Wu, Lei; Fu, Jian-Ping; Tang, Zhong-Sheng; Hu, Ju-Wu; Xiong, Wei","Novel synthesis of fused spiro piperidone-cyclopropanes from cyclopropyl amides and electron-deficient alkenes.","Organic & biomolecular chemistry","2021","19","14","3191","3198","10.1039/d1ob00214g","","x-ray","1.54184","CuKα","","0.0724","0.0692","","","0.164","0.1658","","","","","","1.163","","","","has coordinates","264951","2021-05-05","09:03:55",""
"7157926","7.18","0.003","8.862","0.004","12.266","0.006","84.056","0.017","84.296","0.015","84.884","0.014","770","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O6 -","- C17 H17 N O6 -","- C34 H34 N2 O12 -","2","1","","Meng, Ling; Chang, Xiaoyong; Lin, Zhenyang; Wang, Jun Joelle","Metal-free access to 3-allyl-2-alkoxychromanones via phosphine-catalyzed alkoxy allylation of chromones with MBH carbonates and alcohols.","Organic & biomolecular chemistry","2021","19","12","2663","2667","10.1039/d1ob00215e","","x-ray","0.71073","MoKα","","0.0526","0.0384","","","0.0929","0.0994","","","","","","1.034","","","","has coordinates","263852","2021-04-05","15:19:30",""
"7157927","10.3731","0.0001","6.7217","0.0001","16.666","0.0002","90","","90","","90","","1162.03","0.02","150","2","150.01","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C15 H16 O -","- C15 H16 O -","- C60 H64 O4 -","4","0.5","","Williams, Georgia E.; Kociok-Köhn, Gabriele; James, Tony D.; Lewis, Simon E.","C4-aldehyde of guaiazulene: synthesis and derivatisation.","Organic & biomolecular chemistry","2021","19","11","2502","2511","10.1039/d0ob02567d","","x-ray","1.54184","CuKα","","0.0442","0.0431","","","0.1183","0.1197","","","","","","1.063","","","","has coordinates","263844","2021-04-05","15:18:40",""
"7157928","8.8254","0.0015","9.1172","0.0014","16.392","0.002","94.438","0.012","90.27","0.013","111.705","0.013","1221","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H21 Br Cl N3 O3 -","- C27 H21 Br Cl N3 O3 -","- C54 H42 Br2 Cl2 N6 O6 -","2","1","","Teimouri, Mohammad Bagher; Mokhtare, Zahra; Khavasi, Hamid Reza","Uncatalyzed diastereoselective synthesis of alkyliminofurochromone-derived benzylmalononitriles via a three-component cascade reaction: competition between Diels-Alder cycloaddition and Michael addition.","Organic & biomolecular chemistry","2021","19","11","2517","2525","10.1039/d0ob02540b","","","0.71073","MoKα","","0.1894","0.0689","","","0.1368","0.1652","","","","","","0.816","","","","has coordinates","263848","2021-04-05","15:19:03",""
"7157929","11.5777","0.0016","12.8278","0.0018","15.3442","0.0019","77.929","0.005","76.867","0.005","88.501","0.005","2169.6","0.5","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 Br N4 O -","- C23 H27 Br N4 O -","- C92 H108 Br4 N16 O4 -","4","2","","Wen, Li-Rong; Wang, Ning-Ning; Du, Wu-Bo; Ma, Qiang; Zhang, Lin-Bao; Li, Ming","Nickel-promoted oxidative domino C<sub>sp3</sub>-H/N-H bond double-isocyanide insertion reaction to construct pyrrolin-2-ones.","Organic & biomolecular chemistry","2021","19","13","2895","2900","10.1039/d1ob00139f","","","0.71073","MoKα","","0.0616","0.0496","","","0.1054","0.1122","","","","","","1.089","","","","has coordinates","264948","2021-05-05","09:03:32",""
"7157930","6.7974","0.0012","13.92","0.002","9.9497","0.0018","90","","91.655","0.006","90","","941","0.3","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","tk287","","","- C18 H19 N9 O2 -","- C18 H19 N9 O2 -","- C36 H38 N18 O4 -","2","1","","Kösel, Teresa; Dräger, Gerald; Kirschning, Andreas","Oxidative azidations of phenols and ketones using iodine azide after release from an ion exchange resin.","Organic & biomolecular chemistry","2021","19","13","2907","2911","10.1039/d1ob00083g","","","0.71073","MoKα","","0.073","0.0486","","","0.1241","0.1413","","","","","","0.866","","","","has coordinates","264947","2021-05-05","09:03:26",""
"7157931","9.266","0.0002","11.4559","0.0003","12.8747","0.0004","90","","90","","90","","1366.65","0.06","120.01","0.1","120.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H9 B Cl2 N2 O -","- C15 H9 B Cl2 N2 O -","- C60 H36 B4 Cl8 N8 O4 -","4","1","","Iqbal, S. A.; Yuan, K.; Cid, J.; Pahl, J.; Ingleson, M. J.","Controlling selectivity in N-heterocycle directed borylation of indoles.","Organic & biomolecular chemistry","2021","19","13","2949","2958","10.1039/d1ob00018g","","x-ray","1.54184","CuKα","","0.0604","0.0532","","","0.1398","0.147","","","","","","1.069","","","","has coordinates","264949","2021-05-05","09:03:41",""
"7157932","7.2198","0.0004","8.3969","0.0005","19.8689","0.0009","90","","97.203","0.002","90","","1195.02","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 B Cl2 N2 -","- C13 H9 B Cl2 N2 -","- C52 H36 B4 Cl8 N8 -","4","1","","Iqbal, S. A.; Yuan, K.; Cid, J.; Pahl, J.; Ingleson, M. J.","Controlling selectivity in N-heterocycle directed borylation of indoles.","Organic & biomolecular chemistry","2021","19","13","2949","2958","10.1039/d1ob00018g","","","0.71073","MoKα","","0.0424","0.0344","","","0.0874","0.0928","","","","","","1.06","","","","has coordinates","264949","2021-05-05","09:03:41",""
"7157933","11.5825","0.0011","11.7312","0.0012","16.2936","0.0016","90","","110.128","0.004","90","","2078.7","0.4","173","2","173.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O3 S Se -","- C23 H21 N O3 S Se -","- C92 H84 N4 O12 S4 Se4 -","4","1","","Bian, Mixue; Hua, Jiawei; Ma, Tao; Xu, Jia; Cai, Chen; Yang, Zhao; Liu, Chengkou; He, Wei; Fang, Zheng; Guo, Kai","Continuous-flow electrosynthesis of selenium-substituted iminoisobenzofuran via oxidative cyclization of olefinic amides and diselenides.","Organic & biomolecular chemistry","2021","19","14","3207","3212","10.1039/d1ob00236h","","","1.34139","GaKα","","0.0374","0.0349","","","0.0924","0.0946","","","","","","1.077","","","","has coordinates","264954","2021-05-05","09:04:12",""
"7157934","12.135","0.002","13.466","0.003","13.797","0.003","105.34","0.03","97.89","0.03","112.09","0.03","1942.6","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H43 Cl N5 O6 -","- C40 H43 Cl N5 O6 -","- C80 H86 Cl2 N10 O12 -","2","1","","Nazeri, Mohammad Taghi; Shaabani, Ahmad; Notash, Behrouz","Chemoselective synthesis of fully substituted pyrroles <i>via</i> a one-pot four-component isocyanide-based reaction.","Organic & biomolecular chemistry","2021","19","16","3722","3734","10.1039/d0ob02339f","","","0.71073","MoKα","","0.1532","0.0904","","","0.2467","0.2872","","","","","","1.017","","","","has coordinates","264945","2021-05-05","09:02:56",""
"7157935","8.1689","0.0002","30.7155","0.0007","16.3945","0.0004","90","","103.292","0.003","90","","4003.38","0.17","150","","150","","","","","","","","syntheszied","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 I N O -","- C6 H8 I N O -","- C120 H160 I20 N20 O20 -","20","5","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","0.71073","MoKα","","0.0444","0.0284","","0.0514","0.0441","0.0514","","","","","","0.9294","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157936","16.154","0.002","10.07","0.0015","14.0816","0.0017","90","","91.992","0.011","90","","2289.3","0.5","150","","150","","","","","","","","synthesized","5","C 1 2/m 1","-C 2y","12","","","","- C30 H28 B N O -","- C30 H28 B N O -","- C120 H112 B4 N4 O4 -","4","0.5","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.1626","0.1524","","0.2956","0.2933","0.2956","","","","","","1.0465","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157937","10.4429","0.0002","11.3851","0.0003","13.3448","0.0003","78.042","0.002","78.837","0.002","83.599","0.002","1518.6","0.06","150","","150","","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C29 H28 F12 N2 O3 P2 -","- C29 H28 F12 N2 O3 P2 -","- C58 H56 F24 N4 O6 P4 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.061","0.057","","0.1548","0.1519","0.1548","","","","","","0.9706","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157938","6.9715","0.0003","8.8109","0.0004","10.7517","0.0004","105.053","0.004","99.409","0.004","94.776","0.004","623.68","0.05","150","","150","","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C10 H12 F6 N O2 P -","- C10 H12 F6 N O2 P -","- C20 H24 F12 N2 O4 P2 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","0.71073","MoKα","","0.0509","0.0415","","0.1016","0.0916","0.1016","","","","","","0.9338","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157939","7.5285","0.0003","17.4636","0.0005","6.872","0.0002","90","","99.35","0.003","90","","891.49","0.05","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O6 S -","- C20 H20 N2 O6 S -","- C40 H40 N4 O12 S2 -","2","0.5","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0552","0.0463","","0.119","0.1114","0.119","","","","","","0.9467","","","","has coordinates,has disorder","263854","2021-04-05","15:20:02",""
"7157940","5.1792","0.0001","13.1666","0.0003","6.8217","0.0002","90","","97.057","0.002","90","","461.664","0.019","150","","150","","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","","","- C10 H10 Cl N O -","- C10 H10 Cl N O -","- C20 H20 Cl2 N2 O2 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0411","0.0407","","0.1067","0.1061","0.1067","","","","","","0.9111","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157941","14.8499","0.0005","16.5325","0.0006","18.0268","0.0007","65.052","0.004","66.01","0.003","88.251","0.003","3612.6","0.3","150","","150","","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C64 H62 F24 N10 O4 P4 -","- C64 H62 F24 N10 O4 P4 -","- C128 H124 F48 N20 O8 P8 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0689","0.0646","","0.1874","0.1831","0.1874","","","","","","0.9718","","","","has coordinates,has disorder","263854","2021-04-05","15:20:02",""
"7157942","44.058","0.012","8.6635","0.0003","24.582","0.007","90","","146.85","0.06","90","","5131","8","150","","150","","","","","","","","synthesized","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H23.5 Cl F6 N2.5 O2 P -","- C27 H23.5 Cl F6 N2.5 O2 P -","- C216 H188 Cl8 F48 N20 O16 P8 -","8","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0499","0.0464","","0.11","0.1066","0.11","","","","","","0.9409","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157943","7.5194","0.0004","9.483","0.0004","9.4934","0.0003","118.013","0.004","97.791","0.003","104.191","0.004","553.98","0.05","150","","150","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C26 H22 Br2 N2 O2 -","- C26 H22 Br2 N2 O2 -","- C26 H22 Br2 N2 O2 -","1","0.5","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.021","0.0209","","0.0549","0.0548","0.0549","","","","","","1.0434","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157944","23.425","0.0003","23.425","0.0003","18.7771","0.0005","90","","90","","90","","10303.6","0.3","150","","150","","","","","","","","synthesized","6","I 41/a :2","-I 4ad","88","","","","- C26 H21 F6 N2 O2 P -","- C26 H21 F6 N2 O2 P -","- C416 H336 F96 N32 O32 P16 -","16","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0402","0.0326","","0.0845","0.0763","0.0845","","","","","","0.9499","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157945","7.762","0.0016","8.726","0.0017","18.728","0.004","85.64","0.03","88.48","0.03","89.71","0.03","1264.3","0.5","100","","100","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C28 H30 N2 O8 S -","- C28 H30 N2 O8 S -","- C56 H60 N4 O16 S2 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","0.71073","Synchrotron","","0.16","0.1255","","0.2194","0.2038","0.2194","","","","","","0.9047","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157946","9.8904","0.0002","7.3341","0.0002","22.6009","0.0007","90","","97.141","0.003","90","","1626.69","0.08","150","","150","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Br N2 O -","- C19 H17 Br N2 O -","- C76 H68 Br4 N8 O4 -","4","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","0.71073","MoKα","","0.0247","0.0219","","0.0438","0.0428","0.0438","","","","","","0.9504","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157947","14.3441","0.0002","11.4367","0.0001","16.6982","0.0002","90","","90.8455","0.0011","90","","2739.03","0.06","150","","150","","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Br F6 N3 O2 P -","- C28 H25 Br F6 N3 O2 P -","- C112 H100 Br4 F24 N12 O8 P4 -","4","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0357","0.0345","","0.0809","0.0805","0.0809","","","","","","0.9539","","","","has coordinates,has disorder","263854","2021-04-05","15:20:02",""
"7157948","6.294","0.003","26.438","0.002","7.67","0.004","90","","103.84","0.01","90","","1239.2","0.9","100","","100","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 F6 N2 P -","- C9 H17 F6 N2 P -","- C36 H68 F24 N8 P4 -","4","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","0.710918","synchrotron","","0.0366","0.0346","","0.0873","0.086","0.0873","","","","","","0.9964","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157949","17.86","0.003","8.4885","0.0004","14.325","0.002","90","","136.68","0.03","90","","1490","0.9","105.6","","105.6","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C64 H72 O12 S4 -","4","1","","Wu, Qiuyue; Dong, Ziyang; Xu, Jiaxi; Yang, Zhanhui","Sulfur-controlled and rhodium-catalyzed formal (3 + 3) transannulation of thioacyl carbenes with alk-2-enals and mechanistic insights.","Organic & biomolecular chemistry","2021","19","14","3173","3180","10.1039/d1ob00116g","","","1.5418","CuKα","","0.0289","0.0287","","","0.0753","0.0755","","","","","","1.082","","","","has coordinates","264955","2021-05-05","09:04:16",""
"7157950","9.9245","0.0014","10.0171","0.0014","20.572","0.003","90","","93.914","0.013","90","","2040.4","0.5","293","2","293","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C104 H88 N8 -","4","2","","Shah, Chandan; Yadav, Pratik; Althagafi, Ismail; Nemaysh, Vishal; Shaw, Ranjay; Elagamy, Amr; Pratap, Ramendra","Base mediated synthesis of functionalized 2-(alkynyl)arylnitriles and their molecular docking study with aromatase receptor.","Organic & biomolecular chemistry","2021","19","15","3462","3468","10.1039/d1ob00165e","","","0.71073","MoKα","","0.2237","0.0891","","","0.1858","0.2684","","","","","","0.8972","","","","has coordinates","264961","2021-05-05","09:05:16",""
"7157951","8.2412","0.0003","17.5619","0.0006","18.482","0.0005","90","","99.566","0.001","90","","2637.73","0.15","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H38 Cl2 F12 N2 O2 S4 Sb2 -","- C49 H38 Cl2 F12 N2 O2 S4 Sb2 -","- C98 H76 Cl4 F24 N4 O4 S8 Sb4 -","2","0.5","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0286","0.0279","","","0.0842","0.085","","","","","","1.071","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157952","10.8928","0.001","26.053","0.002","7.3295","0.0005","90","","103.374","0.003","90","","2023.6","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F3 N O4 S3 -","- C20 H16 F3 N O4 S3 -","- C80 H64 F12 N4 O16 S12 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0313","0.0288","","","0.0724","0.0743","","","","","","1.067","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157953","32.2922","0.0019","8.2812","0.0005","18.3803","0.0009","90","","111.542","0.002","90","","4571.9","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F3 N O3 S2 -","- C26 H18 F3 N O3 S2 -","- C208 H144 F24 N8 O24 S16 -","8","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0437","0.0387","","","0.0956","0.1003","","","","","","1.058","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157954","7.7343","0.0009","11.6345","0.0013","25.586","0.002","90","","95.771","0.003","90","","2290.7","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 F3 N O4 S3 -","- C25 H16 F3 N O4 S3 -","- C100 H64 F12 N4 O16 S12 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0305","0.0294","","","0.0802","0.0811","","","","","","1.06","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157955","10.1835","0.0013","10.1873","0.0012","12.0324","0.0013","73.061","0.004","85.268","0.005","71.102","0.004","1129.7","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N3 O2 -","- C27 H27 N3 O2 -","- C54 H54 N6 O4 -","2","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0432","0.0383","","","0.0961","0.1001","","","","","","1.038","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157956","8.5809","0.0008","9.1772","0.0007","10.4716","0.0009","103.021","0.004","93.915","0.004","96.53","0.003","794.44","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N2 O S -","- C20 H14 N2 O S -","- C40 H28 N4 O2 S2 -","2","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0382","0.0337","","","0.0836","0.0876","","","","","","1.062","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157957","24.1618","0.0013","8.143","0.0005","24.1637","0.0015","90","","99.543","0.002","90","","4688.4","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 N O S -","- C31 H25 N O S -","- C248 H200 N8 O8 S8 -","8","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0344","0.033","","","0.089","0.0903","","","","","","1.031","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157958","8.0241","0.0006","20.8105","0.0012","15.2442","0.0008","90","","105.143","0.002","90","","2457.2","0.3","100.01","","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 F3 N O3 S2 -","- C28 H22 F3 N O3 S2 -","- C112 H88 F12 N4 O12 S8 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0396","0.0336","","","0.0865","0.091","","","","","","1.046","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157959","9.8155","0.0006","16.0505","0.0014","29.742","0.002","90","","90","","90","","4685.7","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H18 F3 N O4 S2 -","- C26 H18 F3 N O4 S2 -","- C208 H144 F24 N8 O32 S16 -","8","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0449","0.0393","","","0.0796","0.083","","","","","","1.105","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157960","10.9164","0.0009","15.2555","0.0015","14.1703","0.0013","90","","99.893","0.004","90","","2324.8","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 F5 N O3 S2 -","- C26 H16 F5 N O3 S2 -","- C104 H64 F20 N4 O12 S8 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0456","0.0424","","","0.1041","0.1066","","","","","","1.094","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157961","12.89","0.003","17.696","0.004","9.0179","0.0016","90","","99.136","0.006","90","","2030.9","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0676","0.0517","","","0.1213","0.1291","","","","","","1.062","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157962","10.266","0.002","10.436","0.002","13.703","0.003","77.481","0.007","74.186","0.007","87.828","0.008","1378.6","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 F3 N O3 S2 -","- C32 H22 F3 N O3 S2 -","- C64 H44 F6 N2 O6 S4 -","2","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0541","0.0437","","","0.1036","0.1126","","","","","","1.073","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157963","6.149","0.002","16.882","0.005","19.24","0.006","90","","90","","90","","1997.3","1.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N O S -","- C26 H21 N O S -","- C104 H84 N4 O4 S4 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0386","0.0345","","","0.0804","0.0841","","","","","","1.058","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157964","12.3013","0.0016","11.0116","0.0011","16.542","0.002","90","","100.472","0.004","90","","2203.4","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O3 S -","- C27 H25 N O3 S -","- C108 H100 N4 O12 S4 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0346","0.0324","","","0.0869","0.089","","","","","","1.038","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157965","13.0989","0.0006","13.0989","0.0006","27.9396","0.001","90","","90","","90","","4793.9","0.4","100","","100","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C26 H18 F3 N O3 S3 -","- C26 H18 F3 N O3 S3 -","- C208 H144 F24 N8 O24 S24 -","8","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0559","0.0491","","","0.1256","0.1332","","","","","","1.043","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157966","12.066","0.005","11.422","0.005","16.283","0.007","90","","103.093","0.011","90","","2185.7","1.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O S -","- C27 H23 N O S -","- C108 H92 N4 O4 S4 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0961","0.0679","","","0.1777","0.2025","","","","","","1.092","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157967","9.6947","0.0003","10.8404","0.0003","12.192","0.0004","99.164","0.001","113.438","0.001","109.745","0.001","1040.54","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 N O S -","- C27 H23 N O S -","- C54 H46 N2 O2 S2 -","2","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.037","0.0338","","","0.0919","0.0976","","","","","","1.052","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157968","11.0127","0.0008","18.919","0.002","17.186","0.002","90","","106.981","0.003","90","","3424.6","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 F3 N O4 S5 -","- C38 H26 F3 N O4 S5 -","- C152 H104 F12 N4 O16 S20 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0578","0.0465","","","0.1042","0.1109","","","","","","1.058","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157969","14.7925","0.0018","10.7843","0.0013","13.5803","0.0017","90","","111.899","0.002","90","","2010.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 O2 -","- C25 H21 N3 O2 -","- C100 H84 N12 O8 -","4","1","","Liu, Qi; Wang, Lei; Liu, Jie; Ruan, Shuchen; Li, Pinhua","Facile synthesis of carbamoylated benzimidazo[2,1-<i>a</i>]isoquinolin-6(5<i>H</i>)-ones <i>via</i> radical cascade cyclization under metal-free conditions.","Organic & biomolecular chemistry","2021","19","15","3489","3496","10.1039/d1ob00101a","","","0.71073","MoKα","","0.0491","0.0348","","","0.094","0.1018","","","","","","0.951","","","","has coordinates","264964","2021-05-05","09:05:34",""
"7157970","13.3305","0.0012","7.3656","0.0007","20.434","0.002","90","","94.098","0.002","90","","2001.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Br N2 O3 S -","- C23 H17 Br N2 O3 S -","- C92 H68 Br4 N8 O12 S4 -","4","1","","Liu, Qi; Wang, Lei; Liu, Jie; Ruan, Shuchen; Li, Pinhua","Facile synthesis of carbamoylated benzimidazo[2,1-<i>a</i>]isoquinolin-6(5<i>H</i>)-ones <i>via</i> radical cascade cyclization under metal-free conditions.","Organic & biomolecular chemistry","2021","19","15","3489","3496","10.1039/d1ob00101a","","","0.71073","MoKα","","0.0645","0.0402","","","0.0931","0.1005","","","","","","0.987","","","","has coordinates","264964","2021-05-05","09:05:34",""
"7157971","7.7555","0.0002","19.8449","0.0004","15.1282","0.0003","90","","102.239","0.002","90","","2275.42","0.09","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Cl F3 N O2 S -","- C26 H21 Cl F3 N O2 S -","- C104 H84 Cl4 F12 N4 O8 S4 -","4","1","","Chen, Tao; Wang, Aoning; Zhang, Linxue; Wei, Chenlong; Huang, Juhui; Liu, Xiang; Fu, Zhenqian","Formal [4 + 1] annulation of fluorinated sulfonium salt with cyclic unsaturated imines to access CF<sub>3</sub>-substituted pyrroles.","Organic & biomolecular chemistry","2021","19","14","3128","3133","10.1039/d1ob00218j","","x-ray","1.54184","CuKα","","0.0406","0.038","","","0.0968","0.0995","","","","","","1.038","","","","has coordinates","264950","2021-05-05","09:03:47",""
"7157972","12.1135","0.0002","20.9493","0.0004","10.1143","0.0002","90","","101.59","0.03","90","","2514.4","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 O2 -","- C34 H26 O2 -","- C136 H104 O8 -","4","1","","Emmaniel Raju, Chittala; Kadiyala, Veerabhushanam; Sreenivasulu, Gottam; Kumar, Perla Bharath; Sridhar, Balasubramanian; Karunakar, Galla V.","Gold-catalyzed synthesis of 1<i>H</i>-isochromene-4-carbaldehydes <i>via</i> oxidative cascade cyclization.","Organic & biomolecular chemistry","2021","19","16","3634","3643","10.1039/d1ob00066g","","","0.71073","MoKα","","0.105","0.0662","","","0.168","0.1967","","","","","","1.027","","","","has coordinates","264944","2021-05-05","09:02:49",""
"7157973","15.2574","0.0002","8.055","0.0001","18.4264","0.0004","90","","96.396","0.002","90","","2250.48","0.06","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H46 Cl2 N4 O4 -","- C55 H46 Cl2 N4 O4 -","- C110 H92 Cl4 N8 O8 -","2","1","","Wei, Ran; Gao, Li; Li, Gaihui; Tang, Li; Zhang, Guoshun; Zheng, Feilang; Song, Heng; Li, Qingshan; Ban, Shurong","Squaramide-catalysed asymmetric Friedel-Crafts alkylation of naphthol and unsaturated pyrazolones.","Organic & biomolecular chemistry","2021","19","15","3370","3373","10.1039/d1ob00347j","","","1.54178","CuKα","","0.0711","0.0613","","","0.1605","0.168","","","","","","1.082","","","","has coordinates","264962","2021-05-05","09:05:21",""
"7157974","12.4819","0.0003","5.4926","0.0002","25.2518","0.0007","90","","101.834","0.003","90","","1694.42","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Br N2 O3 -","- C19 H17 Br N2 O3 -","- C76 H68 Br4 N8 O12 -","4","1","","Qiu, Shaotong; Cao, Tongxiang; Zhu, Shifa","Catalyst-free synthesis of isoxazolidine from nitrosoarene and haloalkyne via a 1,2-halo-migration/[3 + 2] cycloaddition cascade.","Organic & biomolecular chemistry","2021","19","14","3139","3143","10.1039/d1ob00421b","","x-ray","1.54184","CuKα","","0.0374","0.0308","","","0.0772","0.0817","","","","","","1.047","","","","has coordinates","264952","2021-05-05","09:04:02",""
"7157975","20.0555","0.001","7.4291","0.0005","23.0509","0.0012","90","","90","","90","","3434.5","0.3","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H15 I N2 O3 -","- C19 H15 I N2 O3 -","- C152 H120 I8 N16 O24 -","8","2","","Qiu, Shaotong; Cao, Tongxiang; Zhu, Shifa","Catalyst-free synthesis of isoxazolidine from nitrosoarene and haloalkyne via a 1,2-halo-migration/[3 + 2] cycloaddition cascade.","Organic & biomolecular chemistry","2021","19","14","3139","3143","10.1039/d1ob00421b","","x-ray","0.71073","MoKα","","0.0404","0.033","","","0.0638","0.0678","","","","","","1.026","","","","has coordinates","264952","2021-05-05","09:04:02",""
"7157976","14.282","0.0013","13.5704","0.0009","10.3175","0.0009","90","","110.86","0.002","90","","1868.6","0.3","287","2","287.55","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Kumar, Pravin; Keshri, Santosh Kumar; Kapur, Manmohan","Ru(II)-Catalyzed, Cu(II)-mediated carbene migratory insertion in the synthesis of trisubstituted pyrroles from isoxazoles.","Organic & biomolecular chemistry","2021","19","15","3428","3433","10.1039/d1ob00255d","","","0.71073","MoKα","","0.1752","0.0701","","","0.1276","0.1598","","","","","","1.024","","","","has coordinates","264959","2021-05-05","09:04:46",""
"7157977","9.912","0.003","15.262","0.004","8.115","0.002","90","","98.518","0.01","90","","1214.1","0.6","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O2 S -","- C12 H14 N2 O2 S -","- C48 H56 N8 O8 S4 -","4","1","","Kumar, Pravin; Keshri, Santosh Kumar; Kapur, Manmohan","Ru(II)-Catalyzed, Cu(II)-mediated carbene migratory insertion in the synthesis of trisubstituted pyrroles from isoxazoles.","Organic & biomolecular chemistry","2021","19","15","3428","3433","10.1039/d1ob00255d","","","0.71073","MoKα","","0.0349","0.0312","","","0.0905","0.0946","","","","","","1.012","","","","has coordinates","264959","2021-05-05","09:04:52",""
"7157978","21.5473","0.0006","6.9275","0.0002","10.8993","0.0003","90","","90","","90","","1626.93","0.08","150","2","150","2","","","","","","","synthesized by the authors","4","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl3 O3 -","- C17 H15 Cl3 O3 -","- C68 H60 Cl12 O12 -","4","0.5","","Nechaev, Anton A.; Jagtap, Pratap R.; BaŽíková, Ema; Neumannová, Johana; Císařová, Ivana; Matoušová, Eliška","Synthesis of fused 1,2-naphthoquinones with cytotoxic activity using a one-pot three-step reaction.","Organic & biomolecular chemistry","2021","19","15","3434","3440","10.1039/d1ob00205h","","","1.54178","CuKα","","0.0482","0.0475","","","0.1255","0.1259","","","","","","1.165","","","","has coordinates","264963","2021-05-05","09:05:27",""
"7157979","16.9185","0.001","9.5036","0.0006","18.6989","0.0012","90","","143.599","0.001","90","","1784.2","0.2","120","2","120.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl2 F N2 O4 -","- C18 H15 Cl2 F N2 O4 -","- C72 H60 Cl8 F4 N8 O16 -","4","1","","Motornov, Vladimir A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Copper-catalyzed [3 + 2]-cycloaddition of α-halonitroalkenes with azomethine ylides: facile synthesis of multisubstituted pyrrolidines and pyrroles.","Organic & biomolecular chemistry","2021","19","15","3413","3427","10.1039/d1ob00146a","","","0.71073","MoKα","","0.0441","0.0361","","","0.0835","0.0885","","","","","","1.058","","","","has coordinates","264956","2021-05-05","09:04:27",""
"7157980","18.9549","0.0016","8.4866","0.0007","24.972","0.002","90","","92.897","0.001","90","","4011.9","0.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C192 H168 N8 O24 S8 -","8","1","","Lei, Lu; Liang, Yu-Feng; Liang, Cui; Qin, Jiang-Ke; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang","Copper(I)-catalyzed [4 + 2] cycloaddition of aza-<i>ortho</i>-quinone methides with bicyclic alkenes.","Organic & biomolecular chemistry","2021","19","15","3379","3383","10.1039/d1ob00319d","","","0.71073","MoKα","","0.0568","0.0394","","","0.1077","0.1217","","","","","","1.047","","","","has coordinates","264958","2021-05-05","09:04:40",""
"7157981","19.956","0.003","8.6435","0.0012","24.548","0.003","90","","93.934","0.002","90","","4224.3","1","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3.85 H3.23 N0.15 O0.46 S0.15 -","- C3.84615 H3.07692 N0.153846 O0.461538 S0.153846 -","- C200 H160 N8 O24 S8 -","52","6.5","","Lei, Lu; Liang, Yu-Feng; Liang, Cui; Qin, Jiang-Ke; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang","Copper(I)-catalyzed [4 + 2] cycloaddition of aza-<i>ortho</i>-quinone methides with bicyclic alkenes.","Organic & biomolecular chemistry","2021","19","15","3379","3383","10.1039/d1ob00319d","","","0.71073","MoKα","","0.083","0.0527","","","0.1938","0.2374","","","","","","0.906","","","","has coordinates","264958","2021-05-05","09:04:40",""
"7157982","13.9206","0.0006","9.0995","0.0004","14.8399","0.0006","90","","116.476","0.001","90","","1682.63","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H64 F4 N4 O4 -","- C88 H64 F4 N4 O4 -","- C88 H64 F4 N4 O4 -","1","0.25","","Ali, Saghir; Khan, Abu T.","Copper(ii) triflate catalyzed three-component reaction for the synthesis of 2,3-diarylquinoline derivatives using aryl amines, aryl aldehydes and styrene oxides.","Organic & biomolecular chemistry","2021","19","14","3255","3262","10.1039/d1ob00125f","","","0.71073","MoKα","","0.0948","0.0593","","","0.1456","0.1805","","","","","","0.883","","","","has coordinates","264953","2021-05-05","09:04:07",""
"7157983","10.0105","0.0003","11.3092","0.0004","19.085","0.0007","85.671","0.003","78.534","0.003","67.01","0.003","1949.31","0.12","282.72","0.1","282.72","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C41 H43 Cl2 N2 P Ru -","- C41 H43 Cl2 N2 P Ru -","- C82 H86 Cl4 N4 P2 Ru2 -","2","1","","Huang, Ming; Li, Yinwu; Lan, Xiao-Bing; Liu, Jiahao; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Ruthenium(II) complexes with N-heterocyclic carbene-phosphine ligands for the <i>N</i>-alkylation of amines with alcohols.","Organic & biomolecular chemistry","2021","19","15","3451","3461","10.1039/d1ob00362c","","x-ray","1.54184","CuKα","","0.0336","0.0301","","","0.0737","0.0759","","","","","","1.037","","","","has coordinates","264960","2021-05-05","09:05:09",""
"7157984","10.4412","0.0001","11.3932","0.0002","29.2341","0.0003","90","","90","","90","","3477.65","0.08","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C3.9 H3.79 Cl0.1 F0.62 N0.21 P0.21 Ru0.1 -","- C3.89744 H3.79487 Cl0.102564 F0.615385 N0.205128 P0.205128 Ru0.102564 -","- C152 H148 Cl4 F24 N8 P8 Ru4 -","39","9.75","","Huang, Ming; Li, Yinwu; Lan, Xiao-Bing; Liu, Jiahao; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Ruthenium(II) complexes with N-heterocyclic carbene-phosphine ligands for the <i>N</i>-alkylation of amines with alcohols.","Organic & biomolecular chemistry","2021","19","15","3451","3461","10.1039/d1ob00362c","","x-ray","1.54184","CuKα","","0.0329","0.0315","","","0.0823","0.0836","","","","","","1.037","","","","has coordinates","264960","2021-05-05","09:05:11",""
"7157985","12.9079","0.0002","14.7545","0.0002","35.0697","0.0004","90","","95.042","0.001","90","","6653.17","0.16","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C H Cl F N P Ru -","- C4.25806 H4.51613 Cl0.129032 F0.387097 N0.258065 P0.193548 Ru0.129032 -","- C264 H280 Cl8 F24 N16 P12 Ru8 -","62","7.75","","Huang, Ming; Li, Yinwu; Lan, Xiao-Bing; Liu, Jiahao; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Ruthenium(II) complexes with N-heterocyclic carbene-phosphine ligands for the <i>N</i>-alkylation of amines with alcohols.","Organic & biomolecular chemistry","2021","19","15","3451","3461","10.1039/d1ob00362c","","x-ray","1.54184","CuKα","","0.0442","0.0416","","","0.11","0.1124","","","","","","1.065","","","","has coordinates","264960","2021-05-05","09:05:11",""
"7157986","9.2203","0.0003","15.9604","0.0005","13.5514","0.0004","90","","97.921","0.001","90","","1975.19","0.11","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Cl N2 S -","- C24 H17 Cl N2 S -","- C96 H68 Cl4 N8 S4 -","4","1","","Gupta, Prince Kumar; Yadav, Arvind Kumar; Sharma, Anup Kumar; Singh, Krishna Nand","Iodine-catalyzed thioallylation of indoles using Bunte salts prepared from Baylis-Hillman bromides.","Organic & biomolecular chemistry","2021","19","15","3484","3488","10.1039/d1ob00377a","","","0.71073","MoKα","","0.073","0.0511","","","0.0861","0.0953","","","","","","1.09","","","","has coordinates","264965","2021-05-05","09:05:39",""
"7157987","9.6907","0.0012","10.3979","0.001","11.4082","0.0013","88.986","0.009","65.263","0.011","80.064","0.009","1026.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br N O3 S -","- C22 H18 Br N O3 S -","- C44 H36 Br2 N2 O6 S2 -","2","1","","Yang, Lei; Zhou, Shun; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Zhou, Ming-Qiang; Yuan, Wei-Cheng","A cascade deprotonation/intramolecular aldol reaction of α-carbonyl sulfonium ylides with 2-mercaptoindole-3-carbaldehydes and 2-mercaptobenzaldehydes to access thieno[2,3-<i>b</i>]indoles and benzothiophenes.","Organic & biomolecular chemistry","2021","19","16","3678","3686","10.1039/d1ob00349f","","x-ray","1.54184","CuKα","","0.049","0.0401","","","0.1026","0.1104","","","","","","1.03","","","","has coordinates","264943","2021-05-05","09:02:44",""
"7157988","8.4413","0.0011","8.917","0.0013","9.0986","0.0011","95.122","0.005","107.332","0.005","113.574","0.004","581.96","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N2 O4 S -","- C11 H12 N2 O4 S -","- C22 H24 N4 O8 S2 -","2","1","","Liu, Xue; Wang, Jingjing; Wu, Ziyan; Li, Feng; Gao, Kexin; Peng, Fanyang; Wang, Junjie; Shen, Renzeng; Zhou, Yao; Liu, Lantao","An organophotoredox-catalyzed C(sp<sup>2</sup>)-N cross coupling reaction of cyclic aldimines with cyclic aliphatic amines.","Organic & biomolecular chemistry","2021","19","16","3595","3600","10.1039/d1ob00223f","","","0.71073","MoKα","","0.0421","0.0321","","","0.0832","0.0888","","","","","","1.048","","","","has coordinates","264941","2021-05-05","09:02:34",""
"7157989","6.7354","0.0001","18.2897","0.0002","19.0257","0.0002","90","","90","","90","","2343.75","0.05","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 Br N2 O4 S -","- C25 H19 Br N2 O4 S -","- C100 H76 Br4 N8 O16 S4 -","4","1","","Chang, Li; Zhu, Guang-Yu; Yang, Ting; Zhao, Xiao-Li; Shi, Min; Zhao, Mei-Xin","Organocatalytic asymmetric formal [3 + 2] cycloaddition reaction of isocyanoacetates with saccharin-derived 1-azadienes.","Organic & biomolecular chemistry","2021","19","16","3687","3697","10.1039/d1ob00115a","","x-ray","1.54184","CuKα","","0.0499","0.0488","","","0.1277","0.1286","","","","","","1.036","","","","has coordinates","264940","2021-05-05","09:02:29",""
"7157990","9.9842","0.0004","10.3171","0.0003","17.4171","0.0007","76.458","0.001","89.873","0.001","70.481","0.001","1638.32","0.11","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 F3 O3 S -","- C17 H15 F3 O3 S -","- C68 H60 F12 O12 S4 -","4","2","","Sun, Tao; He, Shijun; Xu, Zhongliang; Zuo, Jianping; Yu, Yang; Yang, Weibo","Rh-Catalyzed C-H alkylation enabling modular synthesis of CF<sub>3</sub>-substituted benzannulated macrocyclic inhibitors of B cell responses.","Organic & biomolecular chemistry","2021","19","16","3589","3594","10.1039/d1ob00296a","","","0.71073","MoKα","","0.0899","0.0508","","","0.1388","0.1778","","","","","","1.049","","","","has coordinates","264942","2021-05-05","09:02:39",""
"7157991","17.663","0.006","7.822","0.003","29.714","0.01","90","","90","0.007","90","","4105","3","273.15","","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H42 N6 O4 S2 -","- C42 H42 N6 O4 S2 -","- C168 H168 N24 O16 S8 -","4","1","","Zhao, Yu; Li, Li; Zhou, Zitong; Chen, Man; Yang, Weiguang; Luo, Hui","Copper catalyzed five-component domino strategy for the synthesis of nicotinimidamides.","Organic & biomolecular chemistry","2021","19","17","3868","3872","10.1039/d1ob00162k","","","0.71073","MoKα","","0.1783","0.0958","","","0.2247","0.2679","","","","","","0.973","","","","has coordinates","266158","2021-06-05","19:27:14",""
"7157992","19.019","0.002","19.073","0.002","10.6129","0.0011","90","","95.402","0.006","90","","3832.7","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 N3 O2 S2 -","- C21 H17 N3 O2 S2 -","- C168 H136 N24 O16 S16 -","8","1","","Wei, Yueting; Liu, Ping; Liu, Yali; He, Jing; Li, Xuezhen; Li, Shiwu; Zhao, Jixing","NIS-promoted three-component reaction of 3-oxo-3-arylpropanenitriles with arylsulfonyl hydrazides.","Organic & biomolecular chemistry","2021","19","17","3932","3939","10.1039/d1ob00438g","","","0.71073","MoKα","","0.1024","0.0773","","","0.1814","0.1997","","","","","","1.084","","","","has coordinates","266156","2021-06-05","19:26:56",""
"7157993","7.1506","0.0002","10.5088","0.0003","15.9913","0.0004","102.89","0.001","98.917","0.001","106.16","0.001","1094.43","0.05","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N5 O4 S -","- C23 H23 N5 O4 S -","- C46 H46 N10 O8 S2 -","2","1","","Wei, Yueting; Liu, Ping; Liu, Yali; He, Jing; Li, Xuezhen; Li, Shiwu; Zhao, Jixing","NIS-promoted three-component reaction of 3-oxo-3-arylpropanenitriles with arylsulfonyl hydrazides.","Organic & biomolecular chemistry","2021","19","17","3932","3939","10.1039/d1ob00438g","","","0.71073","MoKα","","0.0441","0.0375","","","0.0885","0.0937","","","","","","1.037","","","","has coordinates","266156","2021-06-05","19:26:56",""
"7157994","13.8799","0.0008","14.913","0.0008","14.9991","0.0007","106.397","0.002","108.593","0.002","108.531","0.002","2523.1","0.2","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H37 Cl3 F9 N9 S3 -","- C49 H37 Cl3 F9 N9 S3 -","- C98 H74 Cl6 F18 N18 S6 -","2","1","","Wei, Yueting; Liu, Ping; Liu, Yali; He, Jing; Li, Xuezhen; Li, Shiwu; Zhao, Jixing","NIS-promoted three-component reaction of 3-oxo-3-arylpropanenitriles with arylsulfonyl hydrazides.","Organic & biomolecular chemistry","2021","19","17","3932","3939","10.1039/d1ob00438g","","","0.71073","MoKα","","0.085","0.0712","","","0.1744","0.1828","","","","","","1.106","","","","has coordinates,has disorder","266156","2021-06-05","19:26:56",""
"7157995","9.2271","0.0003","17.1809","0.0005","15.5673","0.0005","90","","103.803","0.001","90","","2396.61","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H35 N O6 -","- C25 H35 N O6 -","- C100 H140 N4 O24 -","4","1","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0386","0.0365","","","0.0871","0.0888","","","","","","1.039","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7157996","16.2391","0.0004","16.2391","0.0004","5.8098","0.0002","90","","90","","90","","1532.09","0.08","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0294","0.0287","","","0.0725","0.0732","","","","","","1.062","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7157997","14.5546","0.0004","19.3096","0.0006","8.6608","0.0003","90","","94.446","0.001","90","","2426.74","0.13","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H37 N O6 -","- C26 H37 N O6 -","- C104 H148 N4 O24 -","4","1","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0289","0.0287","","","0.0877","0.0882","","","","","","0.829","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7157998","15.3793","0.0004","19.2972","0.0005","8.5773","0.0002","90","","99.046","0.001","90","","2513.89","0.11","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H37 N O7 -","- C26 H37 N O7 -","- C104 H148 N4 O28 -","4","1","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0305","0.0305","","","0.0941","0.0941","","","","","","0.911","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7157999","10.8932","0.0002","17.0966","0.0003","39.2989","0.0007","90","","90","","90","","7318.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O7 -","- C25 H35 N O7 -","- C300 H420 N12 O84 -","12","3","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0353","0.0328","","","0.0821","0.084","","","","","","1.023","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7158000","10.5703","0.0002","18.2177","0.0004","13.5717","0.0003","90","","98.191","0.001","90","","2586.79","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H37 N O6 -","- C26 H37 N O6 -","- C104 H148 N4 O24 -","4","2","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0285","0.0282","","","0.0727","0.0731","","","","","","1.04","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7158001","10.8971","0.0002","17.1101","0.0003","39.2778","0.0007","90","","90","","90","","7323.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O7 -","- C25 H35 N O7 -","- C300 H420 N12 O84 -","12","3","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0288","0.0282","","","0.075","0.0756","","","","","","1.032","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7158002","9.847","0.0006","17.2006","0.0014","16.0137","0.0009","90","","106.046","0.006","90","","2606.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O4 S2 -","- C29 H24 N2 O4 S2 -","- C116 H96 N8 O16 S8 -","4","1","","Liu, Huahua; Wei, Li; Chen, Zhiyuan","One-pot multi-step cascade protocols toward β-indolyl sulfoximidoyl amides <i>via</i> intermolecular trapping of an α-indolylpalladium complex by CO.","Organic & biomolecular chemistry","2021","19","15","3359","3369","10.1039/d1ob00128k","","","0.71073","MoKα","","0.0484","0.0414","","","0.1127","0.1181","","","","","","1.003","","","","has coordinates","264957","2021-05-05","09:04:33",""
"7158003","9.7336","0.0005","9.4426","0.0005","12.9051","0.0008","90","","90","","90","","1186.11","0.11","173","2","173","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H11 Br Cl N O -","- C11 H11 Br Cl N O -","- C44 H44 Br4 Cl4 N4 O4 -","4","1","","Hu, Yuanyuan; Wang, Zhen; Luo, Honggen; Jin, Hongwei; Liu, Yunkui; Zhou, Bingwei","NHC-catalyzed Truce-Smiles rearrangement of <i>N</i>-aryl methacrylamides for the synthesis of <i>trans</i>-cinnamides.","Organic & biomolecular chemistry","2021","19","17","3834","3837","10.1039/d1ob00443c","","","1.34139","GaKα","","0.0283","0.0278","","","0.0697","0.0702","","","","","","1.044","","","","has coordinates","266153","2021-06-05","19:26:27",""
"7158004","9.2734","0.0002","12.5056","0.0003","22.5981","0.0007","90","","90","","90","","2620.69","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 Cl N4 O4 -","- C26 H29 Cl N4 O4 -","- C104 H116 Cl4 N16 O16 -","4","1","","Liu, Hui; Yan, Yingkun; Li, Min; Zhang, Xiaomei","An enantioselective aza-Friedel-Crafts reaction of 5-aminoisoxazoles with isatin-derived <i>N</i>-Boc ketimines.","Organic & biomolecular chemistry","2021","19","17","3820","3824","10.1039/d1ob00374g","","","1.54184","CuKα","","0.0522","0.0436","","","0.1121","0.1208","","","","","","1.037","","","","has coordinates","266157","2021-06-05","19:27:08",""
"7158006","7.9229","0.0015","9.4474","0.0019","20.875","0.004","90","","90","","90","","1562.5","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-3,4-dihydronaphthalen-1(2H)-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Elagamy, Amr; Althagafi, Ismail; Pratap, Ramendra","Step-wise and one-pot synthesis of highly substituted conjugated trienes from 2-oxobenzo[<i>h</i>]chromenes/2<i>H</i>-pyran-2-ones.","Organic & biomolecular chemistry","2021","19","17","3901","3910","10.1039/d1ob00314c","","","0.71073","MoKα","","0.0769","0.0566","","","0.1515","0.18","","","","","","1.036","","","","has coordinates","266152","2021-06-05","19:26:21",""
"7158007","6.251","0.0002","18.8202","0.0006","14.227","0.0005","90","","98.706","0.003","90","","1654.45","0.1","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","conjugated triene","","- C20 H22 N2 -","- C20 H22 N2 -","- C80 H88 N8 -","4","1","","Elagamy, Amr; Althagafi, Ismail; Pratap, Ramendra","Step-wise and one-pot synthesis of highly substituted conjugated trienes from 2-oxobenzo[<i>h</i>]chromenes/2<i>H</i>-pyran-2-ones.","Organic & biomolecular chemistry","2021","19","17","3901","3910","10.1039/d1ob00314c","","x-ray","0.71073","MoKα","","0.0836","0.0761","","","0.2068","0.2139","","","","","","1.082","","","","has coordinates","266152","2021-06-05","19:26:21",""
"7158008","5.712","0.0001","10.0398","0.0002","21.6602","0.0003","84.51","0.002","87.428","0.002","78.784","0.002","1212.4","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 N O3 -","- C31 H25 N O3 -","- C62 H50 N2 O6 -","2","1","","Guranova, Natalia; Golubev, Pavel; Bakulina, Olga; Dar'in, Dmitry; Kantin, Grigory; Krasavin, Mikhail","Unexpected formal [4 + 2]-cycloaddition of chalcone imines and homophthalic anhydrides: preparation of dihydropyridin-2(1<i>H</i>)-ones.","Organic & biomolecular chemistry","2021","19","17","3829","3833","10.1039/d1ob00534k","","","1.54184","CuKα","","0.0526","0.0451","","","0.1198","0.1258","","","","","","1.041","","","","has coordinates","266155","2021-06-05","19:26:48",""
"7158009","10.602","0.0003","11.2205","0.0003","13.0016","0.0002","95.41","0.002","112.439","0.002","115.598","0.003","1225.34","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21.33 H18 N0.67 O2 -","- C21.3333 H18 N0.666667 O2 -","- C64 H54 N2 O6 -","3","1.5","","Guranova, Natalia; Golubev, Pavel; Bakulina, Olga; Dar'in, Dmitry; Kantin, Grigory; Krasavin, Mikhail","Unexpected formal [4 + 2]-cycloaddition of chalcone imines and homophthalic anhydrides: preparation of dihydropyridin-2(1<i>H</i>)-ones.","Organic & biomolecular chemistry","2021","19","17","3829","3833","10.1039/d1ob00534k","","","1.54184","CuKα","","0.0467","0.0414","","","0.1105","0.1142","","","","","","1.055","","","","has coordinates","266155","2021-06-05","19:26:48",""
"7158010","10.301","0.002","6.87","0.001","29.971","0.006","90","","97.272","0.003","90","","2103.9","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N O3 -","- C27 H19 N O3 -","- C108 H76 N4 O12 -","4","1","","Pirovano, Valentina; Brambilla, Elisa; Riva, Marika; Leoni, Sara; Rizzato, Silvia; Garanzini, Davide; Abbiati, Giorgio; Rossi, Elisabetta","Stereoselective synthesis of 2-spirocyclopropyl-indolin-3-ones through cyclopropanation of aza-aurones with tosylhydrazones.","Organic & biomolecular chemistry","2021","19","17","3925","3931","10.1039/d1ob00076d","","x-ray","0.71073","MoKα","","0.0842","0.0561","","","0.1359","0.1491","","","","","","1.042","","","","has coordinates","266154","2021-06-05","19:26:32",""
"7158011","14.1551","0.0003","9.5932","0.0003","13.369","0.0006","90","","90","","90","","1815.41","0.11","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C23 H26 N2 -","- C23 H26 N2 -","- C92 H104 N8 -","4","0.5","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0671","0.0595","","","0.1793","0.186","","","","","","1.098","","","","has coordinates","266172","2021-06-05","19:29:17",""
"7158012","19.6128","0.0009","12.3072","0.0006","9.3607","0.0005","90","","90","","90","","2259.47","0.19","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H22 Br2 O6 -","- C23 H22 Br2 O6 -","- C92 H88 Br8 O24 -","4","1","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0421","0.038","","","0.1015","0.1054","","","","","","1.047","","","","has coordinates,has disorder","266172","2021-06-05","19:29:17",""
"7158013","8.8647","0.0005","10.0294","0.0006","11.7597","0.0005","110.64","0.005","90.771","0.004","112.601","0.005","889.76","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 Cl2 N2 -","- C21 H20 Cl2 N2 -","- C42 H40 Cl4 N4 -","2","1","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0567","0.0486","","","0.1441","0.1501","","","","","","1.063","","","","has coordinates","266172","2021-06-05","19:29:17",""
"7158014","5.5415","0.0002","10.2343","0.0005","21.638","0.001","86.297","0.004","89.697","0.004","87.381","0.004","1223.32","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H30 N2 -","- C33 H30 N2 -","- C66 H60 N4 -","2","1","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0842","0.0648","","","0.1837","0.2001","","","","","","1.052","","","","has coordinates","266172","2021-06-05","19:29:17",""
"7158015","7.9071","0.0006","8.9267","0.0005","11.6792","0.0007","86.424","0.005","84.971","0.006","85.252","0.006","817.11","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 F2 N2 -","- C21 H20 F2 N2 -","- C42 H40 F4 N4 -","2","1","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0695","0.0605","","","0.1768","0.1855","","","","","","1.092","","","","has coordinates","266172","2021-06-05","19:29:17",""
"7158016","6.517","0.0004","10.4112","0.0007","15.8832","0.001","90","","97.934","0.002","90","","1067.36","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","14","Nordiamantane carboxylic acid","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Zonker, Benjamin; Becker, Jonathan; Hrdina, Radim","Synthesis of noradamantane derivatives by ring-contraction of the adamantane framework.","Organic & biomolecular chemistry","2021","19","18","4027","4031","10.1039/d1ob00471a","","","0.71073","MoKα","","0.0529","0.0424","","","0.1069","0.1145","","","","","","1.051","","","","has coordinates","266169","2021-06-05","19:28:58",""
"7158017","16.845","0.002","7.2075","0.0011","9.0263","0.0013","90","","104.89","0.006","90","","1059.1","0.3","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N2 S -","- C10 H16 N2 S -","- C40 H64 N8 S4 -","4","1","","Xiang, Lingling; Wu, Haiting; Liang, Yunshi; Deng, Huiying; He, Yiting; Xu, Qin; Zhang, Jing","Ag(I)-Catalyzed rapid access to 2-amino-4-methylenethiazolines with potential applications in bioconjugation chemistry.","Organic & biomolecular chemistry","2021","19","18","4060","4066","10.1039/d1ob00464f","","","1.34139","GaKα","","0.0536","0.0454","","","0.1238","0.1306","","","","","","1.121","","","","has coordinates","266174","2021-06-05","19:29:39",""
"7158018","8.4613","0.0005","11.5857","0.0007","20.5398","0.0013","105.707","0.004","100.475","0.004","90.015","0.004","1903.4","0.2","190","","190","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 N2 S -","- C10 H10 N2 S -","- C80 H80 N16 S8 -","8","4","","Xiang, Lingling; Wu, Haiting; Liang, Yunshi; Deng, Huiying; He, Yiting; Xu, Qin; Zhang, Jing","Ag(I)-Catalyzed rapid access to 2-amino-4-methylenethiazolines with potential applications in bioconjugation chemistry.","Organic & biomolecular chemistry","2021","19","18","4060","4066","10.1039/d1ob00464f","","","1.34139","GaKα","","0.1374","0.0625","","","0.1331","0.1614","","","","","","1.045","","","","has coordinates","266174","2021-06-05","19:29:40",""
"7158019","7.7449","0.0012","16.862","0.003","21.49","0.003","90","","90","","90","","2806.5","0.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H10 I N O3 -","- C15 H10 I N O3 -","- C120 H80 I8 N8 O24 -","8","1","","Zhuang, Shi-Yi; Tang, Yong-Xing; Chen, Xiang-Long; Wu, Yan-Dong; Wu, An-Xin","I<sub>2</sub>-DMSO mediated oxidative amidation of methyl ketones with anthranils for the synthesis of α-ketoamides.","Organic & biomolecular chemistry","2021","19","19","4258","4262","10.1039/d1ob00468a","","","0.71073","MoKα","","0.0835","0.0398","","","0.1079","0.1349","","","","","","0.992","","","","has coordinates","266160","2021-06-05","19:27:39",""
"7158020","20.7942","0.0007","11.5133","0.0003","21.0097","0.0007","90","","117.4","0.0011","90","","4465.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 N4 O8 S2 -","- C48 H52 N4 O8 S2 -","- C192 H208 N16 O32 S8 -","4","1","","Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu","Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.","Organic & biomolecular chemistry","2021","19","18","4054","4059","10.1039/d1ob00416f","","","0.71073","MoKα","","0.0984","0.0582","","","0.1448","0.1677","","","","","","1.038","","","","has coordinates","266168","2021-06-05","19:28:52",""
"7158021","10.9256","0.0006","19.212","0.0012","12.467","0.0008","90","","108.176","0.004","90","","2486.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N2 O4 S -","- C28 H28 N2 O4 S -","- C112 H112 N8 O16 S4 -","4","1","","Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu","Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.","Organic & biomolecular chemistry","2021","19","18","4054","4059","10.1039/d1ob00416f","","","0.71073","MoKα","","0.0842","0.0439","","","0.0961","0.1158","","","","","","1.026","","","","has coordinates","266168","2021-06-05","19:28:52",""
"7158022","10.5135","0.0009","19.334","0.0017","9.35","0.0008","90","","114.646","0.003","90","","1727.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O2 S -","- C19 H20 N2 O2 S -","- C76 H80 N8 O8 S4 -","4","1","","Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu","Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.","Organic & biomolecular chemistry","2021","19","18","4054","4059","10.1039/d1ob00416f","","","0.71073","MoKα","","0.0873","0.0485","","","0.0944","0.1131","","","","","","0.981","","","","has coordinates","266168","2021-06-05","19:28:52",""
"7158023","10.7975","0.0004","15.5298","0.0005","13.53","0.0005","90","","111.241","0.0013","90","","2114.62","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N2 O4 S -","- C23 H24 N2 O4 S -","- C92 H96 N8 O16 S4 -","4","1","","Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu","Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.","Organic & biomolecular chemistry","2021","19","18","4054","4059","10.1039/d1ob00416f","","","0.71073","MoKα","","0.0501","0.0373","","","0.0938","0.1031","","","","","","1.02","","","","has coordinates","266168","2021-06-05","19:28:52",""
"7158024","14.0275","0.0005","9.3309","0.0003","18.6042","0.0007","90","","101.919","0.0014","90","","2382.59","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N2 O5 P -","- C26 H25 N2 O5 P -","- C104 H100 N8 O20 P4 -","4","1","","Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu","Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.","Organic & biomolecular chemistry","2021","19","18","4054","4059","10.1039/d1ob00416f","","","0.71073","MoKα","","0.0478","0.0365","","","0.0939","0.1029","","","","","","1.048","","","","has coordinates","266168","2021-06-05","19:28:52",""
"7158025","8.5936","0.0002","9.1593","0.0002","11.8002","0.0003","97.475","0.001","95.711","0.001","98.379","0.001","904.42","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 N2 O4 S -","- C19 H26 N2 O4 S -","- C38 H52 N4 O8 S2 -","2","1","","Ilari, Denise; Maskri, Sarah; Schepmann, Dirk; Köhler, Jens; Daniliuc, Constantin G.; Koch, Oliver; Wünsch, Bernhard","Diastereoselective synthesis of conformationally restricted KOR agonists.","Organic & biomolecular chemistry","2021","19","18","4082","4099","10.1039/d1ob00398d","","","1.54178","CuKα","","0.0334","0.0325","","","0.0834","0.0842","","","","","","1.048","","","","has coordinates","266176","2021-06-05","19:29:50",""
"7158026","17.858","0.003","7.985","0.002","24.624","0.006","90","","92.493","0.018","90","","3508","1.4","200","140","200","140","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H49 N4 O9 -","- C34 H49 N4 O9 -","- C136 H196 N16 O36 -","4","1","","Liu, Jin-Yu; Sun, Xue-Yi; Tang, Quan; Song, Jun-Jie; Li, Xiao-Qi; Gong, Bing; Liu, Rui; Lu, Zhong-Lin","An unnatural tripeptide structure containing intramolecular double H-bonds mimics a turn hairpin conformation.","Organic & biomolecular chemistry","2021","19","19","4359","4363","10.1039/d1ob00526j","","x-ray","1.54184","CuKα","","0.2419","0.1929","","","0.5026","0.5656","","","","","","2.084","","","","has coordinates","266164","2021-06-05","19:28:10",""
"7158027","8.755","0.003","9.844","0.003","10.982","0.004","111.2","0.012","98.323","0.012","105.109","0.011","821.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C36 H36 N4 O8 -","2","1","","Ramu, Gopathi; Kodiripaka, Bheeshma Geetanjali; Raga Chaitanya, Kalakonda; Nagendra Babu, Bathini","A facile and metal-free domino reaction of TsDAM and 2-alkenylarylaldehyde: An easy access to 8-hydroxy-2,8-dihydro indeno [2,1-<i>c</i>]pyrazoles.","Organic & biomolecular chemistry","2021","19","18","4118","4125","10.1039/d1ob00262g","","","0.71073","MoKα","","0.0633","0.0482","","","0.1203","0.1386","","","","","","1.046","","","","has coordinates","266170","2021-06-05","19:29:03",""
"7158028","12.5334","0.0011","9.3516","0.0008","17.836","0.0015","90","","90","","90","","2090.5","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","1","","Natho, Philipp; Yang, Zeyu; Allen, Lewis A. T.; Rey, Juliette; White, Andrew J. P.; Parsons, Philip J.","An entry to 2-(cyclobut-1-en-1-yl)-1<i>H</i>-indoles through a cyclobutenylation/deprotection cascade.","Organic & biomolecular chemistry","2021","19","18","4048","4053","10.1039/d1ob00430a","","","0.71073","MoKα","","0.0916","0.0415","","","0.086","0.0951","","","","","","0.883","","","","has coordinates","266175","2021-06-05","19:29:45",""
"7158029","8.83667","0.00015","12.0256","0.0002","12.1039","0.0002","83.6482","0.0015","74.9958","0.0016","70.8882","0.0016","1173.43","0.04","293","","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C26 H23 N2 O4 P -","- C26 H23 N2 O4 P -","- C52 H46 N4 O8 P2 -","2","1","","Devi, Lalita; Sharma, Gaurav; Kant, Ruchir; Shukla, Sanjeev K.; Rastogi, Namrata","Regioselective synthesis of functionalized pyrazole-chalcones <i>via</i> a base mediated reaction of diazo compounds with pyrylium salts.","Organic & biomolecular chemistry","2021","19","18","4132","4136","10.1039/d1ob00274k","","","1.54184","CuKα","","0.0819","0.0753","","","0.2085","0.2172","","","","","","1.067","","","","has coordinates","266171","2021-06-05","19:29:08",""
"7158030","14.0152","0.0003","32.06","0.0007","27.4484","0.0005","90","","101.878","0.0018","90","","12069.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C120 H134 Fe2 N24 O24 -","- C120 H134 Fe2 N24 O24 -","- C480 H536 Fe8 N96 O96 -","4","1","","Liu, Ya-Zhou; Mu, Xiao; Chan, Cheih-Kai; Robeyns, Koen; Wang, Cheng-Chung; Singleton, Michael L.","Water binding stabilizes stacked conformations of ferrocene containing sheet-like aromatic oligoamides.","Organic & biomolecular chemistry","2021","19","25","5521","5524","10.1039/d1ob00580d","","","0.71073","MoKα","","0.1062","0.0638","","","0.1532","0.1741","","","","","","1.073","","","","has coordinates,has disorder","267242","2021-07-05","18:13:30",""
"7158031","9.17","0.014","29.3","0.04","9.624","0.015","90","","94.36","0.02","90","","2578","7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl3 N O5 -","- C29 H22 Cl3 N O5 -","- C116 H88 Cl12 N4 O20 -","4","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.","An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.","Organic & biomolecular chemistry","2021","19","19","4338","4345","10.1039/d1ob00514f","","","0.71073","MoKα","","0.12","0.0599","","","0.1314","0.158","","","","","","1.029","","","","has coordinates","266163","2021-06-05","19:28:03",""
"7158032","9.944","0.0006","10.1014","0.0005","11.6132","0.0006","79.844","0.002","79.371","0.002","84.323","0.002","1125.89","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 N O5 S -","- C28 H21 N O5 S -","- C56 H42 N2 O10 S2 -","2","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.","An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.","Organic & biomolecular chemistry","2021","19","19","4338","4345","10.1039/d1ob00514f","","","0.71073","MoKα","","0.0768","0.0503","","","0.1314","0.1532","","","","","","0.91","","","","has coordinates","266163","2021-06-05","19:28:03",""
"7158033","9.427","0.0005","10.2071","0.0006","13.7551","0.0008","76.432","0.002","74.927","0.002","79.643","0.002","1232.36","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N O6 S -","- C29 H23 N O6 S -","- C58 H46 N2 O12 S2 -","2","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.","An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.","Organic & biomolecular chemistry","2021","19","19","4338","4345","10.1039/d1ob00514f","","","1.54178","CuKα","","0.0398","0.0364","","","0.0911","0.0937","","","","","","1.031","","","","has coordinates","266163","2021-06-05","19:28:03",""
"7158034","9.8464","0.0015","16.367","0.002","14.348","0.002","90","","94.553","0.006","90","","2305","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Cl N O5 -","- C28 H20 Cl N O5 -","- C112 H80 Cl4 N4 O20 -","4","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.","An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.","Organic & biomolecular chemistry","2021","19","19","4338","4345","10.1039/d1ob00514f","","","0.71073","MoKα","","0.0583","0.0416","","","0.0881","0.0954","","","","","","1.051","","","","has coordinates","266163","2021-06-05","19:28:03",""
"7158035","23.452","0.005","4.5449","0.0009","22.939","0.005","90","","111.31","0.03","90","","2277.8","0.9","210","2","210","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","methyl 8-bromo-2-oxo-2,3-dihydro-1H-benzo[b]azepine-4-carboxylate","","- C12 H10 Br N O3 -","- C12 H10 Br N O3 -","- C96 H80 Br8 N8 O24 -","8","1","","Krause, Andreas; Sperlich, Eric; Schmidt, Bernd","Matsuda-Heck arylation of itaconates: a versatile approach to heterocycles from a renewable resource.","Organic & biomolecular chemistry","2021","19","19","4292","4302","10.1039/d1ob00392e","","","0.71073","MoKα","","0.063","0.0382","","","0.0869","0.0983","","","","","","1.038","","","","has coordinates","266159","2021-06-05","19:27:32",""
"7158036","29.6153","0.0012","4.8689","0.0001","20.5","0.0009","90","","104.698","0.003","90","","2859.25","0.18","210","2","210","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(E)-2-(4-methoxybenzylidene)-4-isopropoxy-4-oxobutanoic acid","","- C15 H18 O5 -","- C15 H18 O5 -","- C120 H144 O40 -","8","1","","Krause, Andreas; Sperlich, Eric; Schmidt, Bernd","Matsuda-Heck arylation of itaconates: a versatile approach to heterocycles from a renewable resource.","Organic & biomolecular chemistry","2021","19","19","4292","4302","10.1039/d1ob00392e","","","0.71073","MoKα","","0.0564","0.0415","","","0.1129","0.1204","","","","","","1.07","","","","has coordinates,has disorder","266159","2021-06-05","19:27:33",""
"7158037","10.73","0.004","9.218","0.003","16.091","0.006","90","","95.635","0.007","90","","1583.9","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br N2 O -","- C19 H15 Br N2 O -","- C76 H60 Br4 N8 O4 -","4","1","","Chen, Mengjia; Meng, Haifang; Yang, Fang; Wang, Yani; Chen, Chen; Zhu, Bolin","Rhodium(iii)-catalyzed switchable C-H acylmethylation and annulation of 2,2'-bipyridine derivatives with sulfoxonium ylides.","Organic & biomolecular chemistry","2021","19","19","4268","4271","10.1039/d1ob00590a","","","0.71073","MoKα","","0.0737","0.0416","","","0.0812","0.0885","","","","","","1.03","","","","has coordinates","266162","2021-06-05","19:27:52",""
"7158038","11.7732","0.0005","7.7539","0.0003","15.9751","0.0007","90","","104.728","0.004","90","","1410.42","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Br N2 O -","- C18 H11 Br N2 O -","- C72 H44 Br4 N8 O4 -","4","1","","Chen, Mengjia; Meng, Haifang; Yang, Fang; Wang, Yani; Chen, Chen; Zhu, Bolin","Rhodium(iii)-catalyzed switchable C-H acylmethylation and annulation of 2,2'-bipyridine derivatives with sulfoxonium ylides.","Organic & biomolecular chemistry","2021","19","19","4268","4271","10.1039/d1ob00590a","","x-ray","1.54184","CuKα","","0.0943","0.0845","","","0.2077","0.2305","","","","","","1.045","","","","has coordinates","266162","2021-06-05","19:27:53",""
"7158039","8.8361","0.001","8.2497","0.0008","21.719","0.002","90","","96.488","0.011","90","","1573.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Chen, Mengjia; Meng, Haifang; Yang, Fang; Wang, Yani; Chen, Chen; Zhu, Bolin","Rhodium(iii)-catalyzed switchable C-H acylmethylation and annulation of 2,2'-bipyridine derivatives with sulfoxonium ylides.","Organic & biomolecular chemistry","2021","19","19","4268","4271","10.1039/d1ob00590a","","x-ray","0.71073","MoKα","","0.0714","0.0485","","","0.1378","0.1575","","","","","","1.042","","","","has coordinates","266162","2021-06-05","19:27:53",""
"7158040","8.16","0.0016","5.6","0.0011","27.7","0.006","90","","94","0.03","90","","1262.7","0.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-phenyl-1H-pyrano[4,3-b]quinolin-1-one","","- C18 H11 N O2 -","- C18 H11 N O2 -","- C72 H44 N4 O8 -","4","1","","Ansari, Farzaneh; Khosravi, Hormoz; Abbasi Kejani, Alireza; Armaghan, Mahsa; Frank, Walter; Balalaie, Saeed; Jafarpour, Farnaz","Transition-metal-free oxidative cyclization reaction of enynals to access pyrane-2-one derivatives.","Organic & biomolecular chemistry","2021","19","19","4263","4267","10.1039/d1ob00726b","","","0.71073","MoKα","","0.1256","0.0928","","","0.1455","0.155","","","","","","1.331","","","","has coordinates","266165","2021-06-05","19:28:16",""
"7158041","6.2023","0.0013","11.202","0.002","16.755","0.004","90","","90","","90","","1164.1","0.4","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Br O2 -","- C14 H9 Br O2 -","- C56 H36 Br4 O8 -","4","1","","Xu, Si-Yu; Zhang, Rui; Zhang, Shu-Sheng; Feng, Chen-Guo","Enantioselective synthesis of 3-aryl-phthalides through a nickel-catalyzed stereoconvergent cross-coupling reaction.","Organic & biomolecular chemistry","2021","19","20","4492","4496","10.1039/d1ob00487e","","","0.71073","MoKα","","0.1044","0.0396","","","0.0676","0.0845","","","","","","0.987","","","","has coordinates","266167","2021-06-05","19:28:29",""
"7158042","24.164","0.0005","9.5229","0.0002","15.7986","0.0003","90","","116.639","0.001","90","","3249.53","0.12","173","2","172.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Cl2 O2 P2 Ru -","- C37 H32 Cl2 O2 P2 Ru -","- C148 H128 Cl8 O8 P8 Ru4 -","4","0.5","","Li, Chen; Ge, Min-Tong; Bai, Liang; Xia, Ai-Bao; Xu, Dan-Qian; Xu, Zhen-Yuan","Direct <i>N</i>-alkylation of sulfur-containing amines.","Organic & biomolecular chemistry","2021","19","20","4478","4482","10.1039/d1ob00368b","","","1.34139","GaKα","","0.031","0.0304","","","0.0804","0.0808","","","","","","1.059","","","","has coordinates,has disorder","266166","2021-06-05","19:28:24",""
"7158043","22.5105","0.0008","6.8064","0.0002","20.6235","0.0007","90","","117.157","0.001","90","","2811.5","0.16","120","","120","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H9 N O -","- C8 H9.00025 N O -","- C128 H144.004 N16 O16 -","16","2","","Luo, Liangliang; Chen, Xiao-Pan; Li, Zhao-Feng; Zhou, Yuan; Xiao, You-Cai; Chen, Fen-Er","Palladium(II)-catalyzed aerobic oxidative O-H/C-H isocyanide insertion: facile access to pyrrolo[2,1-<i>c</i>][1,4]benzoxazine derivatives.","Organic & biomolecular chemistry","2021","19","19","4364","4368","10.1039/d1ob00393c","","","0.71073","MoKα","","0.0923","0.0555","","","0.1228","0.1449","","","","","","1.018","","","","has coordinates,has disorder","266161","2021-06-05","19:27:46",""
"7158044","8.703","0.013","9.329","0.014","14.17","0.02","94.13","0.03","91.26","0.03","90.13","0.02","1147","3","223","","223","","","","","","","","","4","P 1","P 1","1","","","","- C24 H31 Br O5 -","- C24 H32 Br O5 -","- C48 H64 Br2 O10 -","2","2","","Nakamura, Tenma; Pitna, Dinda B.; Kimura, Kogaku; Yoshimoto, Yukiko; Uchiyama, Tomoya; Mori, Takaya; Kondo, Ryosuke; Hara, Shihori; Egoshi, Yuki; Yamaguchi, Shoya; Suzuki, Noriyuki; Suzuki, Yumiko; Usuki, Toyonobu","Total synthesis of cynaropicrin.","Organic & biomolecular chemistry","2021","19","27","6038","6044","10.1039/d1ob00657f","","","0.71073","MoKα","","0.1182","0.0737","","","0.187","0.2234","","","","","","0.935","","","","has coordinates","268917","2021-09-06","12:24:05",""
"7158045","11.179","0.003","18.388","0.004","19.517","0.004","90","","90","","90","","4011.9","1.6","110","2","110","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H20 Cl8 F4 O4 Sb2 -","- C42 H20 Cl8 F4 O4 Sb2 -","- C168 H80 Cl32 F16 O16 Sb8 -","4","0.5","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0296","0.0272","","","0.0662","0.0676","","","","","","1.148","","","","has coordinates","267229","2021-07-05","18:10:56",""
"7158046","8.8626","0.0012","11.4164","0.0015","12.8227","0.0017","96.74","0.002","92.201","0.002","91.203","0.002","1287","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","none","","","- C32 H15 F8 O2 Sb -","- C32 H15 F8 O2 Sb -","- C64 H30 F16 O4 Sb2 -","2","1","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0253","0.0228","","","0.0558","0.0571","","","","","","1.057","","","","has coordinates","267229","2021-07-05","18:10:57",""
"7158047","21.576","","13.045","","24.513","","90","","105.31","","90","","6654.55","","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H56 F21 N O4 Sb2 -","- C74 H56 F21 N O4 Sb2 -","- C296 H224 F84 N4 O16 Sb8 -","4","1","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0314","0.0223","","","0.0455","0.0486","","","","","","1.039","","","","has coordinates","267229","2021-07-05","18:10:57",""
"7158048","43.782","0.013","12.384","0.003","24.941","0.007","90","","96.702","0.006","90","","13431","6","110","2","110.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73.95 H59 F16.97 N O4 Sb2 -","- C73.944 H59 F16.968 N O4 Sb2 -","- C591.552 H472 F135.744 N8 O32 Sb16 -","8","1","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0746","0.0475","","","0.1075","0.1228","","","","","","1.021","","","","has coordinates,has disorder","276322","2022-06-28","14:05:29",""
"7158049","10.646","0.01","12.039","0.012","22.8","0.02","88.953","0.012","89.387","0.011","81.84","0.011","2892","5","110","2","110.15","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H30 Cl6 F16 O4 Sb2 -","- C61 H30 Cl6 F16 O4 Sb2 -","- C122 H60 Cl12 F32 O8 Sb4 -","2","1","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0449","0.0334","","","0.0729","0.0791","","","","","","1.022","","","","has coordinates,has disorder","276322","2022-06-28","14:05:41",""
"7158050","29.7448","0.0012","10.3503","0.0004","31.5033","0.0013","90","","90","","90","","9698.8","0.7","100.15","","100.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C58 H20 F20 O4 Sb2 -","- C58 H20 F20 O4 Sb2 -","- C464 H160 F160 O32 Sb16 -","8","2","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.036","0.03","","","0.0728","0.0749","","","","","","1.156","","","","has coordinates","267229","2021-07-05","18:10:57",""
"7158051","11.3249","0.00016","10.11966","0.00012","11.47015","0.00015","90","","106.002","0.0014","90","","1263.59","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H29 F N2 O3 -","- C29 H29 F N2 O3 -","- C58 H58 F2 N4 O6 -","2","1","","Zhang, Chao; Wu, You-Cai; Cui, Bao-Dong; Li, Lian; Han, Wen-Yong; Wan, Nan-Wei; Chen, Yong-Zheng","Palladium-catalyzed asymmetric allylic alkylation of 3-aminooxindoles to access chiral homoallylic aminooxindoles.","Organic & biomolecular chemistry","2021","19","21","4720","4725","10.1039/d1ob00550b","","x-ray","1.54184","CuKα","","0.0274","0.0268","","","0.07","0.0709","","","","","","1.039","","","","has coordinates","266180","2021-06-05","19:30:19",""
"7158052","25.4371","0.0005","6.95612","0.00016","15.3764","0.0002","90","","99.685","0.0016","90","","2681.98","0.09","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H29 F N2 O3 -","- C29 H29 F N2 O3 -","- C116 H116 F4 N8 O12 -","4","1","","Zhang, Chao; Wu, You-Cai; Cui, Bao-Dong; Li, Lian; Han, Wen-Yong; Wan, Nan-Wei; Chen, Yong-Zheng","Palladium-catalyzed asymmetric allylic alkylation of 3-aminooxindoles to access chiral homoallylic aminooxindoles.","Organic & biomolecular chemistry","2021","19","21","4720","4725","10.1039/d1ob00550b","","x-ray","1.54184","CuKα","","0.0345","0.0325","","","0.0879","0.0907","","","","","","1.033","","","","has coordinates","266180","2021-06-05","19:30:19",""
"7158053","12.4146","0.0006","9.1711","0.0005","13.5882","0.0008","90","","105.086","0.005","90","","1493.77","0.14","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","2","","Nipate, Dhananjay S.; Shinde, Vikki N.; Rangan, Krishnan; Kumar, Anil","Switchable regioselective hydroalkylation of 2-arylindoles with maleimides.","Organic & biomolecular chemistry","2021","19","22","4910","4921","10.1039/d1ob00690h","","x-ray","1.54184","CuKα","","0.0903","0.0862","","","0.2693","0.2721","","","","","","1.094","","","","has coordinates","267233","2021-07-05","18:11:49",""
"7158054","15.2055","0.0018","17.986","0.002","8.4082","0.0011","90","","90","","90","","2299.5","0.5","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H28 O7 -","- C27 H28 O7 -","- C108 H112 O28 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi; Chen, Shin-Mei; Hsiao, Yu-Ting","Bsi(OTf)<sub>3</sub>-mediated tandem annulation of 1-aryl isochroman-3-ones with oxygenated arenes: one-pot synthesis of polyoxygenated homotriptycenes.","Organic & biomolecular chemistry","2021","19","21","4733","4742","10.1039/d1ob00606a","","","0.71073","MoKα","","0.1004","0.069","","","0.1332","0.1476","","","","","","1.053","","","","has coordinates","266179","2021-06-05","19:30:12",""
"7158055","11.9481","0.0008","15.6973","0.0009","12.0408","0.0007","90","","111.052","0.003","90","","2107.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 F2 O6 -","- C25 H20 F2 O6 -","- C100 H80 F8 O24 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi; Chen, Shin-Mei; Hsiao, Yu-Ting","Bsi(OTf)<sub>3</sub>-mediated tandem annulation of 1-aryl isochroman-3-ones with oxygenated arenes: one-pot synthesis of polyoxygenated homotriptycenes.","Organic & biomolecular chemistry","2021","19","21","4733","4742","10.1039/d1ob00606a","","","0.71073","MoKα","","0.0725","0.0407","","","0.0917","0.1061","","","","","","1.004","","","","has coordinates","266179","2021-06-05","19:30:12",""
"7158056","9.4685","0.0005","12.8091","0.0007","17.304","0.001","90","","92.621","0.002","90","","2096.5","0.2","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H8 B F10 N O -","- C24 H8 B F10 N O -","- C96 H32 B4 F40 N4 O4 -","4","1","","Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","The synthesis, properties, and reactivity of Lewis acidic aminoboranes.","Organic & biomolecular chemistry","2021","19","21","4796","4802","10.1039/d1ob00520k","","","0.71073","MoKα","","0.0497","0.0392","","","0.1006","0.108","","","","","","1.041","","","","has coordinates","266177","2021-06-05","19:30:00",""
"7158057","11.1178","0.0006","12.3316","0.0006","15.8444","0.0008","83.703","0.002","89.331","0.002","89.752","0.002","2159.01","0.19","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H24 B2 F20 N2 -","- C50 H24 B2 F20 N2 -","- C100 H48 B4 F40 N4 -","2","1","","Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","The synthesis, properties, and reactivity of Lewis acidic aminoboranes.","Organic & biomolecular chemistry","2021","19","21","4796","4802","10.1039/d1ob00520k","","","0.71073","MoKα","","0.0603","0.047","","","0.1075","0.1199","","","","","","1.051","","","","has coordinates","266177","2021-06-05","19:30:00",""
"7158058","7.6108","0.0004","9.4314","0.0007","27.7355","0.0019","90","","94.802","0.002","90","","1983.9","0.2","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H8 B F10 N -","- C24 H8 B F10 N -","- C96 H32 B4 F40 N4 -","4","1","","Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","The synthesis, properties, and reactivity of Lewis acidic aminoboranes.","Organic & biomolecular chemistry","2021","19","21","4796","4802","10.1039/d1ob00520k","","","0.71073","MoKα","","0.0578","0.0455","","","0.1029","0.1087","","","","","","1.065","","","","has coordinates","266177","2021-06-05","19:30:00",""
"7158059","30.583","0.01","14.745","0.005","17.429","0.006","90","","122.794","0.012","90","","6607","4","173","2","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H36 B2 F20 N6 -","- C62 H36 B2 F20 N6 -","- C248 H144 B8 F80 N24 -","4","0.5","","Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","The synthesis, properties, and reactivity of Lewis acidic aminoboranes.","Organic & biomolecular chemistry","2021","19","21","4796","4802","10.1039/d1ob00520k","","","0.71073","MoKα","","0.0931","0.0613","","","0.146","0.167","","","","","","1.012","","","","has coordinates","266177","2021-06-05","19:30:00",""
"7158060","11.0755","0.001","11.2327","0.0011","18.6587","0.0018","90","","105.827","0.003","90","","2233.3","0.4","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 B F10 N Si2 -","- C18 H18 B F10 N Si2 -","- C72 H72 B4 F40 N4 Si8 -","4","1","","Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","The synthesis, properties, and reactivity of Lewis acidic aminoboranes.","Organic & biomolecular chemistry","2021","19","21","4796","4802","10.1039/d1ob00520k","","","0.71073","MoKα","","0.0525","0.0466","","","0.105","0.1108","","","","","","1.06","","","","has coordinates","266177","2021-06-05","19:30:00",""
"7158061","6.1284","0.0003","13.2853","0.0008","34.731","0.003","90","","90","","90","","2827.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,6-bis(diphenylbismuthanyl)dibenzo[b,d]furan","","- C36 H26 Bi2 O -","- C36 H26 Bi2 O -","- C144 H104 Bi8 O4 -","4","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","MoKα","","0.0374","0.0287","","","0.0571","0.0604","","","","","","1.069","","","","has coordinates","267231","2021-07-05","18:11:35",""
"7158062","9.0281","0.0004","12.188","0.0005","15.1195","0.0006","101.289","0.002","90.246","0.002","95.156","0.002","1624.47","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,6-bis(dichlorodiphenyl-l5-bismuthanyl)dibenzo[b,d]furan","","- C36 H26 Bi2 Cl4 O -","- C36 H26 Bi2 Cl4 O -","- C72 H52 Bi4 Cl8 O2 -","2","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.0408","0.0262","","","0.0527","0.0566","","","","","","1.046","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158063","12.0198","0.0003","12.1771","0.0007","15.7796","0.0011","96.19","0.005","103.9","0.004","114.199","0.003","1988.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,6-bis(dichlorodiphenyl-λ^5^-bismuthanyl)-10,11-dihydrodibenzo[b,f]oxepine","","- C44 H36 Bi2 Cl4 O -","- C44 H36 Bi2 Cl4 O -","- C88 H72 Bi4 Cl8 O2 -","2","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","MoKα","","0.027","0.021","","","0.0436","0.0457","","","","","","1.072","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158064","10.6951","0.0017","10.8286","0.0012","13.7009","0.0008","83.462","0.006","88.592","0.009","79.178","0.012","1548.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,6-bis(diphenylbismuthanyl)-10,11-dihydrodibenzo[b,f]oxepine","","- C38 H30 Bi2 O -","- C38 H30 Bi2 O -","- C76 H60 Bi4 O2 -","2","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","MoKα","","0.0555","0.0314","","","0.0553","0.0613","","","","","","1.011","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158065","37.8761","0.0011","51.185","0.0017","6.6097","0.0002","90","","90","","90","","12814.1","0.7","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","(9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylbismuthane)","","- C39 H32 Bi2 O -","- C39 H32 Bi2 O -","- C624 H512 Bi32 O16 -","16","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.041","0.0288","","","0.0415","0.0437","","","","","","1.046","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158066","8.4334","0.0005","25.9105","0.0015","15.5944","0.0009","90","","91.06","0.002","90","","3407","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(oxybis(2,1-phenylene))bis(dichlorodiphenyl-λ^5^-bismuthane)","","- C36 H28 Bi2 Cl4 O -","- C36 H28 Bi2 Cl4 O -","- C144 H112 Bi8 Cl16 O4 -","4","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.0327","0.0253","","","0.0521","0.0542","","","","","","1.089","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158067","11.0777","0.0007","17.8599","0.0011","15.0585","0.0009","90","","92.997","0.002","90","","2975.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(oxybis(2,1-phenylene))bis(diphenylbismuthane)","","- C36 H28 Bi2 O -","- C36 H28 Bi2 O -","- C144 H112 Bi8 O4 -","4","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.0262","0.0187","","","0.033","0.0344","","","","","","1.038","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158068","12.3959","0.0006","13.9993","0.0006","21.7582","0.001","90","","100.772","0.002","90","","3709.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(9,9-dimethyl-9H-xanthene-4,5-diyl)bis(dichlorodiphenyl-λ^5^-bismuthane)","","- C39.5 H33 Bi2 Cl5 O -","- C39.5 H33 Bi2 Cl5 O -","- C158 H132 Bi8 Cl20 O4 -","4","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.0196","0.016","","","0.0323","0.0339","","","","","","1.043","","","","has coordinates,has disorder","267231","2021-07-05","18:11:36",""
"7158069","9.495","0.004","15.107","0.007","12.403","0.006","90","","93.99","0.02","90","","1774.8","1.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H13 Br N2 O -","- C24 H13 Br N2 O -","- C96 H52 Br4 N8 O4 -","4","1","","Das, Sarasija; Choudhury, Anwesha; Mandal, Arnab; Kumar, Chandan; Ranjan Sahoo, Smruti; Bedi, Anjan; Shekhar Karmakar, Himadri; Gopal Ghosh, Nani; Dey, Somnath; Krishnan Iyer, Parameswar; Bhattacharyya, Sayan; Zade, Sanjio S.","An unconventional route to an ambipolar azaheterocycle and its <i>in situ</i> generated radical anion.","Organic & biomolecular chemistry","2021","19","23","5114","5120","10.1039/d1ob00826a","","","0.71073","MoKα","","0.1261","0.0488","","","0.0951","0.1207","","","","","","0.971","","","","has coordinates","267248","2021-07-05","18:14:36",""
"7158070","9.7636","0.0003","9.7605","0.0002","19.7943","0.0005","90","","94.084","0.002","90","","1881.56","0.08","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 Br1.287 Cl0.713 N2 -","- C24 H14 Br1.287 Cl0.713 N2 -","- C96 H56 Br5.148 Cl2.852 N8 -","4","1","","Das, Sarasija; Choudhury, Anwesha; Mandal, Arnab; Kumar, Chandan; Ranjan Sahoo, Smruti; Bedi, Anjan; Shekhar Karmakar, Himadri; Gopal Ghosh, Nani; Dey, Somnath; Krishnan Iyer, Parameswar; Bhattacharyya, Sayan; Zade, Sanjio S.","An unconventional route to an ambipolar azaheterocycle and its <i>in situ</i> generated radical anion.","Organic & biomolecular chemistry","2021","19","23","5114","5120","10.1039/d1ob00826a","","x-ray","1.54184","CuKα","","0.0569","0.0543","","","0.0834","0.084","","","","3.41","3.41","3.33","","","","has coordinates","267248","2021-07-05","18:14:37",""
"7158071","9.8028","0.0004","11.5069","0.0005","12.8022","0.0006","65.998","0.003","84.345","0.003","84.332","0.003","1310.06","0.1","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H31 N O -","- C33 H30.905 N O -","- C66 H61.81 N2 O2 -","2","1","","He, Yuan; Zheng, Ting; Huang, Yin-Hui; Dong, Lin","Rh(III)-Catalyzed olefination to build diverse oxazole derivatives from functional alkynes.","Organic & biomolecular chemistry","2021","19","22","4937","4942","10.1039/d1ob00507c","","","1.54178","CuKα","","0.0659","0.0556","","","0.1616","0.1707","","","","","","1.112","","","","has coordinates,has disorder","267236","2021-07-05","18:12:09",""
"7158072","5.6515","0.0012","8.034","0.002","12.082","0.003","81.886","0.008","88.585","0.009","73.865","0.009","521.6","0.2","140","2","140","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","1","1","","Biswas, Rayhan G.; Ray, Sumit K.; Kannaujiya, Vinod K.; Unhale, Rajshekhar A.; Singh, Vinod K.","Cu(I)-Catalyzed asymmetric <i>exo</i>-selective synthesis of substituted pyrrolidines <i>via</i> a 1,3-dipolar cycloaddition reaction.","Organic & biomolecular chemistry","2021","19","21","4685","4690","10.1039/d1ob00494h","","","0.71073","MoKα","","0.0922","0.0615","","","0.1341","0.1497","","","","","","0.926","","","","has coordinates","266178","2021-06-05","19:30:06",""
"7158073","7.6699","0.0015","11.185","0.002","14.839","0.003","97.37","0.03","95.12","0.03","94.17","0.03","1252.9","0.4","153","2","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H25 N O4 S -","- C31 H25 N O4 S -","- C62 H50 N2 O8 S2 -","2","1","","Gao, Xing; Zhu, Dongyu; Jiang, Feng; Liao, Jianning; Wang, Wei; Wu, Yongjun; Zheng, Lufei; Guo, Hongchao","Palladium-catalyzed stereoselective (3 + 2) cycloaddition of vinylethylene carbonates with cyclic <i>N</i>-sulfonyl ketimines.","Organic & biomolecular chemistry","2021","19","22","4877","4881","10.1039/d1ob00614b","","","0.71073","MoKα","","0.061","0.0542","","","0.1092","0.1138","","","","","","1.081","","","","has coordinates,has disorder","267235","2021-07-05","18:12:02",""
"7158074","7.5652","0.0015","9.559","0.0019","32.515","0.007","90","","90","","90","","2351.3","0.8","153","2","153.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O4 S -","- C26 H23 N O4 S -","- C104 H92 N4 O16 S4 -","4","1","","Gao, Xing; Zhu, Dongyu; Jiang, Feng; Liao, Jianning; Wang, Wei; Wu, Yongjun; Zheng, Lufei; Guo, Hongchao","Palladium-catalyzed stereoselective (3 + 2) cycloaddition of vinylethylene carbonates with cyclic <i>N</i>-sulfonyl ketimines.","Organic & biomolecular chemistry","2021","19","22","4877","4881","10.1039/d1ob00614b","","","0.71073","MoKα","","0.1505","0.1261","","","0.2985","0.3277","","","","","","1.142","","","","has coordinates","267235","2021-07-05","18:12:02",""
"7158075","9.734","0.0019","11.144","0.002","25.686","0.005","90","","90","","90","","2786.3","0.9","153","2","153.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 Cl N O6 S -","- C32 H26 Cl N O6 S -","- C128 H104 Cl4 N4 O24 S4 -","4","1","","Gao, Xing; Zhu, Dongyu; Jiang, Feng; Liao, Jianning; Wang, Wei; Wu, Yongjun; Zheng, Lufei; Guo, Hongchao","Palladium-catalyzed stereoselective (3 + 2) cycloaddition of vinylethylene carbonates with cyclic <i>N</i>-sulfonyl ketimines.","Organic & biomolecular chemistry","2021","19","22","4877","4881","10.1039/d1ob00614b","","","0.71073","MoKα","","0.0663","0.0593","","","0.1026","0.1063","","","","","","1.111","","","","has coordinates","267235","2021-07-05","18:12:02",""
"7158076","8.3195","0.0003","18.8155","0.0008","30.0395","0.0015","90","","90","","90","","4702.2","0.4","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H23 Br N4 O3 -","- C27 H23 Br N4 O3 -","- C216 H184 Br8 N32 O24 -","8","1","","Xu, Hui; Huang, Rong-Lu; Shu, Zhu; Hong, Ran; Zhang, Ze","Chemoselective synthesis of 5,4'-imidazolinyl spirobarbiturates <i>via</i> NBS-promoted cyclization of unsaturated barbiturates and amidines.","Organic & biomolecular chemistry","2021","19","22","4978","4985","10.1039/d1ob00508a","","","0.71073","MoKα","","0.0436","0.0324","","","0.0745","0.0796","","","","","","1.036","","","","has coordinates","267230","2021-07-05","18:11:04",""
"7158077","10.1304","0.0012","16.9245","0.0019","19.35","0.002","90","","92.357","0.005","90","","3314.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 N2 O -","- C43 H32 N2 O -","- C172 H128 N8 O4 -","4","1","","Zhang, Wande; Wei, Shiqiang; Qu, Jingping; Wang, Baomin","Acid-catalyzed allenylation of pyrazolones with propargyl alcohols.","Organic & biomolecular chemistry","2021","19","22","4992","5001","10.1039/d1ob00592h","","","0.71073","MoKα","","0.1053","0.0527","","","0.1255","0.1464","","","","","","0.96","","","","has coordinates","267232","2021-07-05","18:11:44",""
"7158079","16.51","0.05","7.4","0.02","16.74","0.05","90","","96","0.06","90","","2034","10","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br N O2 S -","- C24 H20 Br N O2 S -","- C96 H80 Br4 N4 O8 S4 -","4","1","","Singha, Monisha; Bhattacharya, Prabuddha; Ray, Debashis; Basak, Amit","Sterically hindering the trajectory of nucleophilic attack towards <i>p</i>-benzynes by a properly oriented hydrogen atom: an approach to achieve regioselectivity.","Organic & biomolecular chemistry","2021","19","23","5148","5154","10.1039/d1ob00521a","","","0.71073","MoKα","","0.1201","0.0483","","","0.0968","0.1342","","","","","","1.029","","","","has coordinates","267245","2021-07-05","18:14:12",""
"7158080","16.227","0.005","7.418","0.002","17.261","0.003","90","","96.413","0.018","90","","2064.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 I N O2 S -","- C24 H20 I N O2 S -","- C96 H80 I4 N4 O8 S4 -","4","1","","Singha, Monisha; Bhattacharya, Prabuddha; Ray, Debashis; Basak, Amit","Sterically hindering the trajectory of nucleophilic attack towards <i>p</i>-benzynes by a properly oriented hydrogen atom: an approach to achieve regioselectivity.","Organic & biomolecular chemistry","2021","19","23","5148","5154","10.1039/d1ob00521a","","","0.71073","MoKα","","0.1224","0.0567","","","0.1456","0.1966","","","","","","0.967","","","","has coordinates","267245","2021-07-05","18:14:13",""
"7158081","8.0989","0.0018","34.797","0.01","7.681","0.0018","90","","107.3","0.016","90","","2066.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl N O2 S -","- C24 H20 Cl N O2 S -","- C96 H80 Cl4 N4 O8 S4 -","4","1","","Singha, Monisha; Bhattacharya, Prabuddha; Ray, Debashis; Basak, Amit","Sterically hindering the trajectory of nucleophilic attack towards <i>p</i>-benzynes by a properly oriented hydrogen atom: an approach to achieve regioselectivity.","Organic & biomolecular chemistry","2021","19","23","5148","5154","10.1039/d1ob00521a","","","0.71073","MoKα","","0.1518","0.0686","","","0.1659","0.2188","","","","","","1.005","","","","has coordinates","267245","2021-07-05","18:14:13",""
"7158082","10.7761","0.0005","8.5009","0.0004","11.6925","0.0005","90","","112.539","0.002","90","","989.3","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H16 Cl N O S -","- C24 H16 Cl N O S -","- C48 H32 Cl2 N2 O2 S2 -","2","1","","Meng, Beibei; Shi, Qian; Meng, Yuan; Chen, Jie; Cao, Weiguo; Wu, Xiaoyu","Asymmetric catalytic alkynylation of thiazolones and azlactones for synthesis of quaternary α-amino acid precursors.","Organic & biomolecular chemistry","2021","19","23","5087","5092","10.1039/d1ob00582k","","","1.54178","CuKα","","0.0229","0.0227","","","0.0607","0.0609","","","","","","1.038","","","","has coordinates","267251","2021-07-05","18:15:01",""
"7158083","9.4401","0.0002","9.786","0.0002","10.7338","0.0002","64.5184","0.001","74.1018","0.0011","69.7646","0.001","830.67","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C36 H34 N2 O6 S2 -","2","1","","Lee, Kyu Ree; Jung, Da Jung; Ahn, Subin; Kim, Ji Won; Lee, Sang-Gi","Catalyst-controlled divergent transformations of <i>N</i>-sulfonyl-1,2,3-triazoles into isoquinolin-3-ones and 2-aminoindanones.","Organic & biomolecular chemistry","2021","19","23","5093","5097","10.1039/d1ob00708d","","","0.71073","MoKα","","0.0685","0.0451","","","0.1092","0.1243","","","","","","1.028","","","","has coordinates","267249","2021-07-05","18:14:43",""
"7158084","8.3301","0.0005","10.1313","0.0005","10.5314","0.0006","106.868","0.002","106.256","0.002","99.042","0.002","788.58","0.08","223","2","223","2","","","","","","","","5","P -1","-P 1","2","160628No1","160628No1","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C36 H34 N2 O6 S2 -","2","1","","Lee, Kyu Ree; Jung, Da Jung; Ahn, Subin; Kim, Ji Won; Lee, Sang-Gi","Catalyst-controlled divergent transformations of <i>N</i>-sulfonyl-1,2,3-triazoles into isoquinolin-3-ones and 2-aminoindanones.","Organic & biomolecular chemistry","2021","19","23","5093","5097","10.1039/d1ob00708d","","","0.71073","MoKα","","0.0458","0.0389","","","0.1055","0.1112","","","","","","1.048","","","","has coordinates","267249","2021-07-05","18:14:49",""
"7158085","10.5776","0.0002","14.3577","0.0002","11.1685","0.0003","90","","115.979","0.003","90","","1524.77","0.07","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-fluoro-5-methyl-2-phenylbenzo[e]pyrrolo[3,4-b]azepine-1,3(2H,3aH)-dione","","- C19 H13 F N2 O2 -","- C19 H13 F N2 O2 -","- C76 H52 F4 N8 O8 -","4","1","","Inyutina, Anna; Dar'in, Dmitry; Kantin, Grigory; Krasavin, Mikhail","Tricyclic 2-benzazepines obtained <i>via</i> an unexpected cyclization involving nitrilium ylides.","Organic & biomolecular chemistry","2021","19","23","5068","5071","10.1039/d1ob00773d","","","1.54184","CuKα","","0.0388","0.0337","","","0.0816","0.0853","","","","","","1.033","","","","has coordinates","267246","2021-07-05","18:14:18",""
"7158086","9.8017","0.0007","10.5096","0.0006","10.5266","0.0009","89.694","0.006","63.187","0.008","89.901","0.005","967.76","0.14","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O5 -","- C23 H21 N O5 -","- C46 H42 N2 O10 -","2","1","","Jiang, Pengrui; Guo, Jingcheng; Gong, Minghua; Zhou, Xiangui; Cao, Wei; Fu, Zhenqian; Huang, Wei","N-Heterocyclic carbene-catalyzed [3 + 3] annulation of bromoenals with 2-aminochromones to access chromeno[2,3-<i>b</i>]pyridinones.","Organic & biomolecular chemistry","2021","19","22","4882","4886","10.1039/d1ob00720c","","x-ray","0.71073","MoKα","","0.0803","0.0699","","","0.1832","0.1939","","","","","","1.016","","","","has coordinates","267234","2021-07-05","18:11:55",""
"7158087","26.9719","0.0007","26.9719","0.0007","11.6599","0.0003","90","","90","","120","","7346","0.3","150","0.2","150","0.2","","","","","","","","6","R 3 :H","R 3","146","","","","- C13 H21 Br N O3 P -","- C13 H21 Br N O3 P -","- C234 H378 Br18 N18 O54 P18 -","18","2","","Maleckis, Ansis; Herath, Iresha D.; Otting, Gottfried","Synthesis of <sup>13</sup>C/<sup>19</sup>F/<sup>2</sup>H labeled indoles for use as tryptophan precursors for protein NMR spectroscopy.","Organic & biomolecular chemistry","2021","19","23","5133","5147","10.1039/d1ob00611h","","x-ray","1.54184","CuKα","","0.0522","0.0512","","","0.1344","0.1357","","","","","","1.0281","","","","has coordinates","267252","2021-07-05","18:15:17",""
"7158088","7.6464","0.0002","30.7588","0.0009","5.878","0.0002","90","","90","","90","","1382.47","0.07","173","2","173.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Liu, Yali; Wei, Yu; Yang, Zhen; Li, Yang; Liu, Yan; Liu, Ping","Highly selective C3-H iodination of pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2021","19","23","5191","5196","10.1039/d1ob00759a","","","0.71073","MoKα","","0.0392","0.0341","","","0.0778","0.0813","","","","","","1.098","","","","has coordinates","267244","2021-07-05","18:14:05",""
"7158089","13.3693","0.0005","4.2733","0.0002","16.9207","0.0006","90","","90","","90","","966.7","0.07","173","2","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H7 I N2 -","- C11 H7 I N2 -","- C44 H28 I4 N8 -","4","1","","Liu, Yali; Wei, Yu; Yang, Zhen; Li, Yang; Liu, Yan; Liu, Ping","Highly selective C3-H iodination of pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2021","19","23","5191","5196","10.1039/d1ob00759a","","","0.71073","MoKα","","0.0114","0.0111","","","0.028","0.0281","","","","","","1.027","","","","has coordinates","267244","2021-07-05","18:14:05",""
"7158090","14.3648","0.0011","14.4679","0.0012","8.6646","0.0007","90","","101.1","0.008","90","","1767.1","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl N4 O2 -","- C20 H17 Cl N4 O2 -","- C80 H68 Cl4 N16 O8 -","4","1","","Zhuge, Juanping; Jiang, Ziyang; Jiang, Wei; Histand, Gary; Lin, Dongen","Iodine-catalyzed oxidative functionalization of purines with (thio)ethers or methylarenes for the synthesis of purin-8-one analogues.","Organic & biomolecular chemistry","2021","19","23","5121","5126","10.1039/d1ob00118c","","x-ray","0.71073","MoKα","","0.0441","0.0366","","","0.0855","0.0903","","","","","","1.068","","","","has coordinates","267250","2021-07-05","18:14:55",""
"7158091","16.27079","0.00007","24.574","0.00009","28.66463","0.00011","112.948","0.0004","98.3767","0.0004","100.387","0.0003","10081.8","0.08","169.99","0.13","169.99","0.13","","","","","","","","4","P -1","-P 1","2","","TPA-P6(n-He)","","- C116 H125 N13 O14 -","- C116 H125 N13 O14 -","- C464 H500 N52 O56 -","4","2","","Pang, Zhi; Qi, Ting; Li, Baolin","Assembly and optical properties of 1D helical bundles induced by triphenylamine, side chains and solvents in crystals.","Organic & biomolecular chemistry","2021","19","25","5555","5562","10.1039/d1ob00389e","","x-ray","1.54184","CuKα","","0.0803","0.0737","","","0.2094","0.2201","","","","","","1.029","","","","has coordinates,has disorder","267237","2021-07-05","18:12:43",""
"7158092","16.701","0.0002","20.4228","0.0002","24.065","0.0002","89.126","0.001","76.396","0.001","87.174","0.001","7968.08","0.14","170","0.15","170","0.15","","","","","","","","4","P -1","-P 1","2","","P6(i-Bu)","","- C171.26 H177.04 N24 O31.26 -","- C171.259 H177.036 N24 O31.259 -","- C342.518 H354.072 N48 O62.518 -","2","1","","Pang, Zhi; Qi, Ting; Li, Baolin","Assembly and optical properties of 1D helical bundles induced by triphenylamine, side chains and solvents in crystals.","Organic & biomolecular chemistry","2021","19","25","5555","5562","10.1039/d1ob00389e","","x-ray","1.54184","CuKα","","0.1276","0.1204","","","0.3199","0.3236","","","","","","1.058","","","","has coordinates,has disorder","267237","2021-07-05","18:12:44",""
"7158093","10.3686","0.0001","31.9891","0.0003","31.1143","0.0002","90","","95.405","0.001","90","","10274.2","0.15","170","0.15","170","0.15","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C104.58 H103.32 N13 O14.58 -","- C104.579 H103.316 N13 O14.579 -","- C418.316 H413.264 N52 O58.316 -","4","1","","Pang, Zhi; Qi, Ting; Li, Baolin","Assembly and optical properties of 1D helical bundles induced by triphenylamine, side chains and solvents in crystals.","Organic & biomolecular chemistry","2021","19","25","5555","5562","10.1039/d1ob00389e","","x-ray","1.54184","CuKα","","0.097","0.0862","","","0.2654","0.2779","","","","","","1.04","","","","has coordinates,has disorder","267237","2021-07-05","18:12:44",""
"7158094","31.598","0.003","11.6057","0.0009","21.0251","0.0017","90","","129.356","0.002","90","","5961.7","0.9","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 Br N3 O2 S -","- C35 H28 Br N O2 S -","- C280 H224 Br8 N8 O16 S8 -","8","1","","Chanda, Rupsa; Kar, Abhishek; Das, Aniruddha; Chakraborty, Baitan; Jana, Umasish","Iron-catalyzed carboarylation of alkynes <i>via</i> activation of π-activated alcohols: rapid synthesis of substituted benzofused six-membered heterocycles.","Organic & biomolecular chemistry","2021","19","23","5155","5160","10.1039/d1ob00488c","","","0.71073","MoKα","","0.0817","0.0467","","","0.1404","0.1649","","","","","","1.056","","","","has coordinates","267247","2021-07-05","18:14:26",""
"7158095","9.4903","0.0018","9.865","0.002","11.331","0.002","80.779","0.006","71.403","0.007","68.288","0.005","933","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N3 P -","- C21 H24 N3 P -","- C42 H48 N6 P2 -","2","1","","Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman","An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.","Organic & biomolecular chemistry","2021","19","25","5544","5550","10.1039/d1ob00782c","","","0.71073","MoKα","","0.0567","0.0433","","","0.1074","0.1248","","","","","","1.078","","","","has coordinates","267240","2021-07-05","18:13:13",""
"7158096","11.8876","0.0013","11.8876","0.0013","27.431","0.002","90","","90","","120","","3357.1","0.6","110","2","110","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C12 H18 B12 I12 N6 Zn -","- C12 H18 B12 I12 N6 Zn -","- C36 H54 B36 I36 N18 Zn3 -","3","0.0833333","","Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman","An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.","Organic & biomolecular chemistry","2021","19","25","5544","5550","10.1039/d1ob00782c","","","0.71073","MoKα","","0.0258","0.0212","","","0.0413","0.0433","","","","","","1.112","","","","has coordinates","267240","2021-07-05","18:13:13",""
"7158097","7.9597","0.0006","20.1364","0.0017","13.5168","0.001","90","","96.857","0.004","90","","2151","0.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cl2 N3 P Zn -","- C21 H24 Cl2 N3 P Zn -","- C84 H96 Cl8 N12 P4 Zn4 -","4","1","","Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman","An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.","Organic & biomolecular chemistry","2021","19","25","5544","5550","10.1039/d1ob00782c","","","0.71073","MoKα","","0.049","0.0327","","","0.0795","0.0961","","","","","","1.087","","","","has coordinates","267240","2021-07-05","18:13:13",""
"7158098","22.1697","0.0006","14.6015","0.0004","23.0686","0.0006","90","","105.685","0.001","90","","7189.5","0.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 B12 I12 N6 P2 Zn -","- C42 H48 B12 I12 N6 P2 Zn -","- C168 H192 B48 I48 N24 P8 Zn4 -","4","1","","Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman","An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.","Organic & biomolecular chemistry","2021","19","25","5544","5550","10.1039/d1ob00782c","","","0.71073","MoKα","","0.0458","0.0329","","","0.0567","0.0605","","","","","","1.119","","","","has coordinates","267240","2021-07-05","18:13:13",""
"7158099","12.1783","0.0002","7.56305","0.00018","17.6627","0.0003","90","","90.5451","0.0016","90","","1626.75","0.05","159.99","0.1","159.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 6-bromo-4,7-dimethyl-2-phenyl-1H-indole-3-carboxylate","","- C19 H18 Br N O2 -","- C19 H18 Br N O2 -","- C76 H72 Br4 N4 O8 -","4","1","","Zhao, Lan; Qiu, Changfu; Zhao, Lixin; Yin, Guangwei; Li, Fangyi; Wang, Chunhua; Li, Zheng","Base-promoted, CBr<sub>4</sub>-mediated tandem bromination/intramolecular Friedel-Crafts alkylation of N-aryl enamines: a facile access to 1H- and 3H-indoles.","Organic & biomolecular chemistry","2021","19","24","5377","5382","10.1039/d1ob00731a","","x-ray","1.54184","CuKα","","0.0847","0.0641","","","0.1701","0.1987","","","","","","1.098","","","","has coordinates","267228","2021-07-05","18:10:36",""
"7158100","12.5895","0.0017","5.0682","0.0007","18.033","0.002","90","","92.174","0.002","90","","1149.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12.5 N O4 -","- C12 H12.413 N O4 -","- C48 H49.652 N4 O16 -","4","1","","Chen, Rongxiang; Jia, Ruo-Ling; Li, Wenbo; Zhao, Wei; Wang, Kai-Kai; Wang, Zhan-Yong; Ma, Xueji; Dai, Wei; Sun, Aili","A copper iodide-catalyzed coupling reaction of benzofuran-3(2H)-ones with amines: an approach to α-ketoamides.","Organic & biomolecular chemistry","2021","19","24","5294","5297","10.1039/d1ob00715g","","","0.71073","MoKα","","0.0603","0.041","","","0.1156","0.124","","","","","","1.09","","","","has coordinates,has disorder","267226","2021-07-05","18:10:21",""
"7158102","7.707","0.0001","17.6134","0.0002","22.5179","0.0002","90","","93.088","0.001","90","","3052.29","0.06","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl4 N4 O4 -","- C34 H24 Cl4 N4 O4 -","- C136 H96 Cl16 N16 O16 -","4","1","","Kudale, Vishal Suresh; Mutra, Mohana Reddy; Chu, Ching-Piao; Wang, Jeh-Jeng","Unusual C<sub>3</sub>-acetylation of quinoxalin-2(1<i>H</i>)-one <i>via</i> oxidative C-C and C-O bond cleavages of PEG-400.","Organic & biomolecular chemistry","2021","19","25","5567","5571","10.1039/d1ob00769f","","x-ray","0.71073","MoKα","","0.0355","0.0305","","","0.0754","0.0777","","","","","","1.059","","","","has coordinates","267241","2021-07-05","18:13:19",""
"7158103","4.6921","0.0001","21.3139","0.0007","14.5759","0.0004","90","","97.032","0.003","90","","1446.73","0.07","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Kudale, Vishal Suresh; Mutra, Mohana Reddy; Chu, Ching-Piao; Wang, Jeh-Jeng","Unusual C<sub>3</sub>-acetylation of quinoxalin-2(1<i>H</i>)-one <i>via</i> oxidative C-C and C-O bond cleavages of PEG-400.","Organic & biomolecular chemistry","2021","19","25","5567","5571","10.1039/d1ob00769f","","x-ray","0.71073","MoKα","","0.0511","0.0404","","","0.0998","0.1052","","","","","","1.094","","","","has coordinates","267241","2021-07-05","18:13:20",""
"7158104","9.7145","0.0002","11.9901","0.0003","17.9234","0.0006","103.282","0.001","95.226","0.001","109.005","0.002","1889.6","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H41 B F9 N3 -","- C42 H41 B F9 N3 -","- C84 H82 B2 F18 N6 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of amidino-borate derivatives by a multi-component reaction.","Organic & biomolecular chemistry","2021","19","25","5551","5554","10.1039/d1ob00775k","","","0.71073","MoKα","","0.0985","0.0779","","","0.1854","0.2064","","","","","","1.082","","","","has coordinates,has disorder","267243","2021-07-05","18:13:43",""
"7158105","20.6283","0.0007","8.916","0.0002","19.7224","0.0004","90","","90","","90","","3627.38","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H39 B F9 N3 -","- C41 H39 B F9 N3 -","- C164 H156 B4 F36 N12 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of amidino-borate derivatives by a multi-component reaction.","Organic & biomolecular chemistry","2021","19","25","5551","5554","10.1039/d1ob00775k","","","0.71073","MoKα","","0.1019","0.0781","","","0.181","0.2025","","","","","","1.097","","","","has coordinates,has disorder","267243","2021-07-05","18:13:44",""
"7158106","13.5769","0.0002","17.0284","0.0004","23.6162","0.0005","90","","104.969","0.001","90","","5274.62","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 B F9 N3 P -","- C56 H56 B F9 N3 P -","- C224 H224 B4 F36 N12 P4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of amidino-borate derivatives by a multi-component reaction.","Organic & biomolecular chemistry","2021","19","25","5551","5554","10.1039/d1ob00775k","","","0.71073","MoKα","","0.0956","0.0618","","","0.136","0.1564","","","","","","1.033","","","","has coordinates,has disorder","267243","2021-07-05","18:13:44",""
"7158107","13.3489","0.0004","16.9297","0.0006","23.6112","0.0008","90","","101.316","0.002","90","","5232.2","0.3","111","2","111","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 B F9 N3 P -","- C56 H56 B F9 N3 P -","- C224 H224 B4 F36 N12 P4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of amidino-borate derivatives by a multi-component reaction.","Organic & biomolecular chemistry","2021","19","25","5551","5554","10.1039/d1ob00775k","","","1.54178","CuKα","","0.1655","0.1005","","","0.1703","0.1945","","","","","","1.07","","","","has coordinates","267243","2021-07-05","18:13:44",""
"7158108","7.179","0.002","15.131","0.006","26.209","0.011","90","","92.737","0.016","90","","2843.7","1.8","150","2","150.15","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C32 H26 Br N O4.5 -","- C32 H26 Br N O4.5 -","- C128 H104 Br4 N4 O18 -","4","1","","Tsou, Yun-Jie; Guan, Ren-You; Han, Jeng-Liang","Enantioselective organocatalytic vinylogous aldol-cyclization cascade reaction of 3-alkylidene oxindoles with <i>o</i>-quinones.","Organic & biomolecular chemistry","2021","19","26","5836","5843","10.1039/d1ob00888a","","","0.71075","MoKα","","0.1774","0.134","","","0.3476","0.3844","","","","","","1.399","","","","has coordinates,has disorder","268941","2021-09-06","12:29:56",""
"7158109","7.217","0.0007","15.068","0.0014","23.762","0.002","90","","90","","90","","2584","0.4","150","2","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 Br N O5 -","- C28 H24 Br N O5 -","- C112 H96 Br4 N4 O20 -","4","1","","Tsou, Yun-Jie; Guan, Ren-You; Han, Jeng-Liang","Enantioselective organocatalytic vinylogous aldol-cyclization cascade reaction of 3-alkylidene oxindoles with <i>o</i>-quinones.","Organic & biomolecular chemistry","2021","19","26","5836","5843","10.1039/d1ob00888a","","","0.71075","MoKα","","0.0589","0.0547","","","0.1386","0.1442","","","","","","1.089","","","","has coordinates","268941","2021-09-06","12:29:56",""
"7158110","9.5943","0.0007","13.0289","0.0008","13.5767","0.0009","90","","98.466","0.006","90","","1678.6","0.2","294.39","0.1","294.39","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 N2 O -","- C22 H14 N2 O -","- C88 H56 N8 O4 -","4","1","","Kim, Sunmi; Lee, Jeong Hwa; Yoon, Seok Hyun; Kim, Ikyon","A regioselective [4 + 2] annulation approach to 5-acylindolizine-7-carbonitriles: generation of poly-substituted pyridines.","Organic & biomolecular chemistry","2021","19","26","5806","5817","10.1039/d1ob00788b","","x-ray","0.71073","MoKα","","0.0783","0.0511","","","0.1114","0.1277","","","","","","1.048","","","","has coordinates","268940","2021-09-06","12:29:45",""
"7158111","8.607","0.0005","14.6316","0.0008","22.5134","0.0014","90","","90","","90","","2835.2","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-isopropyl-1-phenyl-2-(trifluoromethylsulfonyl)-1,2-dihydropyrazol-5-one","","- C13 H13 F3 N2 O3 S -","- C13 H13 F3 N2 O3 S -","- C104 H104 F24 N16 O24 S8 -","8","1","","Panigrahi, Ahwan; Muniraj, Nachimuthu; Prabhu, Kandikere Ramaiah","<i>N</i>-Triflination of pyrazolones: a new method for N-S bond formation.","Organic & biomolecular chemistry","2021","19","25","5534","5538","10.1039/d1ob00862e","","x-ray","0.71073","MoKα","","0.0401","0.0375","","","0.0923","0.0938","","","","","","1.153","","","","has coordinates","267238","2021-07-05","18:12:49",""
"7158112","13.4208","0.0012","26.557","0.002","8.6349","0.0009","90","","90","","90","","3077.6","0.5","223","2","223","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C10 H16 F5 N O4 S -","- C10 H16 F5 N O4 S -","- C80 H128 F40 N8 O32 S8 -","8","1","","Dudziński, Piotr; Husstedt, Wibke S.; Matsnev, Andrej V.; Thrasher, Joseph S.; Haufe, Günter","Synthesis and [3,3]-sigmatropic rearrangements of 5-(pentafluorosulfanyl)-pent-3-en-2-ol, its homologues, and trifluoromethyl analogues.","Organic & biomolecular chemistry","2021","19","25","5607","5623","10.1039/d1ob00870f","","","1.54178","CuKα","","0.0637","0.0574","","","0.1561","0.1643","","","","","","1.047","","","","has coordinates,has disorder","267239","2021-07-05","18:13:03",""
"7158113","9.9866","0.0006","10.417","0.0006","10.4938","0.0008","101.921","0.006","111.131","0.007","105.454","0.005","924.18","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C38 H48 N4 O8 -","2","1","","Zhang, Wei; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Li, Yinghua; Huang, Deguang","A three-component iodine-catalyzed oxidative coupling reaction: a heterodifunctionalization of 3-methylindoles.","Organic & biomolecular chemistry","2021","19","26","5794","5799","10.1039/d1ob00730k","","","1.54184","CuKα","","0.0753","0.0622","","","0.1606","0.1732","","","","","","1.044","","","","has coordinates","268942","2021-09-06","12:30:08",""
"7158114","8.7888","0.0004","19.6193","0.0008","10.0883","0.0004","90","","109.798","0.005","90","","1636.71","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C68 H80 N8 O16 -","4","1","","Zhang, Wei; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Li, Yinghua; Huang, Deguang","A three-component iodine-catalyzed oxidative coupling reaction: a heterodifunctionalization of 3-methylindoles.","Organic & biomolecular chemistry","2021","19","26","5794","5799","10.1039/d1ob00730k","","","1.54184","CuKα","","0.0566","0.044","","","0.1186","0.1261","","","","","","1.062","","","","has coordinates","268942","2021-09-06","12:30:11",""
"7158115","9.0953","0.0003","19.6563","0.0005","10.0974","0.0004","90","","109.55","0.004","90","","1701.14","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","1","","Zhang, Wei; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Li, Yinghua; Huang, Deguang","A three-component iodine-catalyzed oxidative coupling reaction: a heterodifunctionalization of 3-methylindoles.","Organic & biomolecular chemistry","2021","19","26","5794","5799","10.1039/d1ob00730k","","","1.54184","CuKα","","0.0542","0.0413","","","0.1059","0.1135","","","","","","1.067","","","","has coordinates","268942","2021-09-06","12:30:18",""
"7158116","14.147","0.002","5.4814","0.0008","18.975","0.003","90","","109.36","0.004","90","","1388.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H36 F4 O8 S8 -","- C68 H36 F4 O8 S8 -","- C68 H36 F4 O8 S8 -","1","0.25","","Mondal, Santa; Yashmin, Sabina; Ali, Rashid; Soundaram, R.; Ghosh, Siddhartha S.; Khan, Abu Taleb","Synthesis of biologically active fused 1,4-oxathiin derivatives from 4-hydroxydithiocoumarins, arylacetylenes and dimethyl sulfoxide by Cu(i)-catalyzed C-H functionalization and cross-dehydrogenative C-S coupling reactions.","Organic & biomolecular chemistry","2021","19","26","5818","5826","10.1039/d1ob00846c","","","0.71073","MoKα","","0.0839","0.0632","","","0.2129","0.236","","","","","","1.648","","","","has coordinates","268939","2021-09-06","12:29:35",""
"7158117","9.4481","0.0004","10.3898","0.0005","17.997","0.0009","90","","96.944","0.004","90","","1753.7","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C64 H84 N4 O16 S4 -","4","2","","Li, Xue-Hong; Gong, Jun-Fang; Song, Mao-Ping","Diastereoselective synthesis of chiral 3-substituted isoindolinones <i>via</i> rhodium(III)-catalyzed oxidative C-H olefination/annulation.","Organic & biomolecular chemistry","2021","19","26","5876","5887","10.1039/d1ob00656h","","x-ray","1.54184","CuKα","","0.0629","0.0477","","","0.138","0.1557","","","","","","1.071","","","","has coordinates,has disorder","268938","2021-09-06","12:29:22",""
"7158118","8.6665","0.0005","9.0914","0.0005","20.0289","0.001","90","","90","","90","","1578.09","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O4 S -","- C15 H19 N O4 S -","- C60 H76 N4 O16 S4 -","4","1","","Li, Xue-Hong; Gong, Jun-Fang; Song, Mao-Ping","Diastereoselective synthesis of chiral 3-substituted isoindolinones <i>via</i> rhodium(III)-catalyzed oxidative C-H olefination/annulation.","Organic & biomolecular chemistry","2021","19","26","5876","5887","10.1039/d1ob00656h","","x-ray","1.54184","CuKα","","0.0515","0.0447","","","0.1087","0.1158","","","","","","1.062","","","","has coordinates,has disorder","268938","2021-09-06","12:29:25",""
"7158119","5.9064","0.0003","18.7809","0.0008","7.4306","0.0004","90","","97.589","0.005","90","","817.04","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (4‒methylpyridin‒2‒yl)carbamate","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","","Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.","Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.","Organic & biomolecular chemistry","2021","19","27","6059","6065","10.1039/d1ob00783a","","x-ray","1.54184","CuKα","","0.0501","0.0411","","","0.1095","0.1159","","","","","","1.093","","","","has coordinates","268923","2021-09-06","12:26:03",""
"7158120","4.8119","0.0002","10.5336","0.0004","10.7314","0.0004","114.87","0.004","94.157","0.004","90.003","0.003","491.92","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,2,2‒Trifluoroethyl (4‒methylpyridin‒2‒yl)carbamate","","- C9 H9 F3 N2 O2 -","- C9 H9 F3 N2 O2 -","- C18 H18 F6 N4 O4 -","2","1","","Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.","Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.","Organic & biomolecular chemistry","2021","19","27","6059","6065","10.1039/d1ob00783a","","x-ray","1.54184","CuKα","","0.0385","0.0366","","","0.1019","0.1039","","","","","","1.093","","","","has coordinates","268923","2021-09-06","12:26:03",""
"7158121","11.9095","0.0002","7.9623","0.0001","25.3411","0.0004","90","","95.957","0.001","90","","2390.04","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2‒Methoxyethyl quinolin‒2‒ylcarbamate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C104 H112 N16 O24 -","8","2","","Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.","Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.","Organic & biomolecular chemistry","2021","19","27","6059","6065","10.1039/d1ob00783a","","x-ray","1.54184","CuKα","","0.0415","0.0383","","","0.0968","0.0992","","","","","","1.068","","","","has coordinates","268923","2021-09-06","12:26:03",""
"7158122","8.3092","0.0002","12.0788","0.0004","11.8379","0.0003","90","","92.429","0.003","90","","1187.05","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cyclohexyl (4‒methylpyridin‒2‒yl)carbamate","","- C13 H18 N2 O2 -","- C13 H18 N2 O2 -","- C52 H72 N8 O8 -","4","1","","Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.","Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.","Organic & biomolecular chemistry","2021","19","27","6059","6065","10.1039/d1ob00783a","","x-ray","1.54184","CuKα","","0.0465","0.0382","","","0.0975","0.1032","","","","","","1.047","","","","has coordinates","268923","2021-09-06","12:26:03",""
"7158123","7.9429","0.0002","12.4375","0.0002","12.8747","0.0003","87.653","0.002","74.488","0.002","87.068","0.002","1223.46","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl (4‒methoxyquinolin‒2‒yl)carbamate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","2","","Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.","Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.","Organic & biomolecular chemistry","2021","19","27","6059","6065","10.1039/d1ob00783a","","x-ray","1.54184","CuKα","","0.0404","0.0368","","","0.0985","0.1021","","","","","","1.085","","","","has coordinates","268923","2021-09-06","12:26:03",""
"7158124","6.4301","0.0005","7.7504","0.0006","14.974","0.0012","95.348","0.002","100.866","0.003","105.796","0.003","696.89","0.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 F N O2 S -","- C16 H12 F N O2 S -","- C32 H24 F2 N2 O4 S2 -","2","1","","Zhang, Zai-Wei; Rakesh, K. P.; Liu, Jing; Qin, Hua-Li; Tang, Haolin","A general approach to nitrile- and sulfonyl fluoride-substituted cyclopropanes.","Organic & biomolecular chemistry","2021","19","27","6021","6024","10.1039/d1ob01043c","","","0.71073","MoKα","","0.1269","0.0836","","","0.211","0.2441","","","","","","1.009","","","","has coordinates","268918","2021-09-06","12:24:20",""
"7158125","7.752","0.0006","23.836","0.0019","5.6189","0.0005","90","","97.925","0.002","90","","1028.33","0.15","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F N O2 S -","- C10 H8 F N O2 S -","- C40 H32 F4 N4 O8 S4 -","4","1","","Zhang, Zai-Wei; Rakesh, K. P.; Liu, Jing; Qin, Hua-Li; Tang, Haolin","A general approach to nitrile- and sulfonyl fluoride-substituted cyclopropanes.","Organic & biomolecular chemistry","2021","19","27","6021","6024","10.1039/d1ob01043c","","","0.71073","MoKα","","0.0974","0.0776","","","0.16","0.1669","","","","","","1.146","","","","has coordinates","268918","2021-09-06","12:24:34",""
"7158126","7.71","0.0007","9.8223","0.001","16.1672","0.0013","90","","90","","90","","1224.34","0.19","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 F N O4 -","- C13 H12 F N O4 -","- C52 H48 F4 N4 O16 -","4","1","","Banik, Swarnayu; Sahoo, Tanmoy; Sridhar, B.; Subba Reddy, B. V.","Enantioselective fluorination of 3-indolinone-2-carboxylates with NFSI catalyzed by chiral bisoxazolines.","Organic & biomolecular chemistry","2021","19","27","6085","6091","10.1039/d1ob00144b","","","0.71073","MoKα","","0.0789","0.0473","","","0.1133","0.1287","","","","","","1.048","","","","has coordinates","268919","2021-09-06","12:24:54",""
"7158130","17.8125","0.0012","17.8125","0.0012","8.4655","0.0011","90","","90","","120","","2326.1","0.4","296","2","296","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C17 H17 Cl2 N O -","- C17 H17 Cl2 N O -","- C102 H102 Cl12 N6 O6 -","6","1","","Wang, Fang; Liu, Xiaoli; Wang, Lei","Visible-light-induced C(sp<sup>3</sup>)-H functionalizations of piperidines to 3,3-dichloro-2-hydroxy-piperidines with N-chlorosuccinimide.","Organic & biomolecular chemistry","2021","19","27","6141","6146","10.1039/d1ob00868d","","","0.71073","MoKα","","0.0413","0.0331","","","0.0816","0.0871","","","","","","0.929","","","","has coordinates","268920","2021-09-06","12:25:13",""
"7158131","7.2558","0.0007","9.8044","0.001","10.5031","0.001","99.055","0.004","105.174","0.004","103.419","0.004","682.24","0.12","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C36 H28 N4 O4 -","2","1","","Shelar, Santosh V.; Argade, Narshinha P.","Facile synthesis of indolizinoindolone, indolylepoxypyrrolooxazole, indolylpyrrolooxazolone and isoindolopyrazinoindolone heterocycles from indole and imide derivatives.","Organic & biomolecular chemistry","2021","19","27","6160","6169","10.1039/d1ob00754h","","","0.71073","MoKα","","0.0549","0.0466","","","0.1259","0.131","","","","","","1.105","","","","has coordinates","268916","2021-09-06","12:23:57",""
"7158132","24.406","0.002","5.0265","0.0004","9.4136","0.0008","90","","90","","90","","1154.83","0.16","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Shelar, Santosh V.; Argade, Narshinha P.","Facile synthesis of indolizinoindolone, indolylepoxypyrrolooxazole, indolylpyrrolooxazolone and isoindolopyrazinoindolone heterocycles from indole and imide derivatives.","Organic & biomolecular chemistry","2021","19","27","6160","6169","10.1039/d1ob00754h","","","0.71073","MoKα","","0.039","0.0358","","","0.096","0.106","","","","","","1.193","","","","has coordinates","268916","2021-09-06","12:23:57",""
"7158133","6.7387","0.0001","9.5889","0.0001","44.6727","0.0004","90","","90","","90","","2886.6","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 Cl N8 O10 -","- C24 H35 Cl N8 O10 -","- C96 H140 Cl4 N32 O40 -","4","1","","Morshed, Mahmud T.; Lacey, Ernest; Vuong, Daniel; Lacey, Alastair E.; Lean, Soo Sum; Moggach, Stephen A.; Karuso, Peter; Chooi, Yit-Heng; Booth, Thomas J.; Piggott, Andrew M.","Chlorinated metabolites from Streptomyces sp. highlight the role of biosynthetic mosaics and superclusters in the evolution of chemical diversity.","Organic & biomolecular chemistry","2021","19","27","6147","6159","10.1039/d1ob00600b","","x-ray","1.54184","CuKα","","0.0349","0.0334","","","0.0828","0.0838","","","","","","1.037","","","","has coordinates","268922","2021-09-06","12:25:54",""
"7158134","15.6505","0.0004","4.3519","0.0001","17.2668","0.0005","90","","115.015","0.004","90","","1065.72","0.06","99.9","0.5","99.9","0.5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O4 -","- C11.95 H13.9 O4 -","- C47.8 H55.6 O16 -","4","1","","Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng","Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.","Organic & biomolecular chemistry","2021","19","27","6030","6037","10.1039/d1ob00869b","","x-ray","1.54184","CuKα","","0.0554","0.0475","","","0.1307","0.1367","","","","","","1.077","","","","has coordinates,has disorder","268921","2021-09-06","12:25:41",""
"7158135","5.1015","0.0003","21.7906","0.0018","10.1611","0.0004","90","","102.619","0.005","90","","1102.27","0.12","99.9","0.6","99.9","0.6","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11.92 H13.91 O4 -","- C12 H13.976 O4 -","- C48 H55.904 O16 -","4","1","","Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng","Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.","Organic & biomolecular chemistry","2021","19","27","6030","6037","10.1039/d1ob00869b","","x-ray","1.54184","CuKα","","0.0666","0.0575","","","0.1707","0.1771","","","","","","1.101","","","","has coordinates,has disorder","268921","2021-09-06","12:25:44",""
"7158136","10.3819","0.0006","12.0675","0.0007","12.3012","0.0006","70.999","0.005","84.623","0.005","83.524","0.005","1445.2","0.14","99.9","0.6","99.9","0.6","","","","","","","","3","P -1","-P 1","2","","","","- C52 H76 O26 -","- C52 H76 O26 -","- C52 H76 O26 -","1","0.5","","Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng","Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.","Organic & biomolecular chemistry","2021","19","27","6030","6037","10.1039/d1ob00869b","","x-ray","1.54184","CuKα","","0.0695","0.0633","","","0.2135","0.22","","","","","","1.073","","","","has coordinates","268921","2021-09-06","12:25:44",""
"7158137","12.1797","0.0003","5.2729","0.0001","17.2041","0.0004","90","","99.215","0.002","90","","1090.63","0.04","99.98","0.16","99.98","0.16","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 O4 -","- C13 H13.85 O4 -","- C52 H55.4 O16 -","4","1","","Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng","Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.","Organic & biomolecular chemistry","2021","19","27","6030","6037","10.1039/d1ob00869b","","x-ray","1.54184","CuKα","","0.0502","0.0487","","","0.1253","0.1263","","","","","","1.125","","","","has coordinates,has disorder","268921","2021-09-06","12:25:44",""
"7158138","23.3741","0.0004","13.2115","0.0002","17.727","0.0003","90","","100.781","0.001","90","","5377.6","0.15","99.9","0.6","99.9","0.6","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 O13 -","- C26 H38 O13 -","- C208 H304 O104 -","8","1","","Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng","Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.","Organic & biomolecular chemistry","2021","19","27","6030","6037","10.1039/d1ob00869b","","x-ray","1.54184","CuKα","","0.0734","0.0701","","","0.192","0.1945","","","","","","1.081","","","","has coordinates,has disorder","268921","2021-09-06","12:25:44",""
"7158139","10.0138","0.0005","11.7765","0.0006","12.7363","0.0006","84.6324","0.0015","78.133","0.0015","84.1528","0.0016","1458.14","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 N3 O5 -","- C34 H33 N3 O5 -","- C68 H66 N6 O10 -","2","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.0792","0.0512","","","0.1208","0.1367","","","","","","1.028","","","","has coordinates","268954","2021-09-06","12:34:40",""
"7158140","17.6658","0.0012","12.454","0.0008","26.766","0.002","90","","95.226","0.002","90","","5864.3","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 N3 O5 -","- C34 H33 N3 O5 -","- C272 H264 N24 O40 -","8","2","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.2613","0.1063","","","0.219","0.2918","","","","","","1.022","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158141","10.8318","0.0006","11.4013","0.0007","15.4837","0.0008","105.432","0.002","103.175","0.002","103.079","0.002","1708.8","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N3 O8 -","- C34 H31 N3 O8 -","- C68 H62 N6 O16 -","2","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.1818","0.0946","","","0.2299","0.2804","","","","","","1.024","","","","has coordinates,has disorder","268954","2021-09-06","12:34:41",""
"7158142","10.7954","0.0011","11.0062","0.001","13.5566","0.0012","68.256","0.003","87.382","0.003","86.599","0.003","1493","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 Cl2 N O4 -","- C34 H27 Cl2 N O4 -","- C68 H54 Cl4 N2 O8 -","2","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.1288","0.0788","","","0.2039","0.2348","","","","","","1.034","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158143","8.6348","0.0003","17.8206","0.0007","18.8901","0.0008","90","","94.7464","0.0013","90","","2896.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 Cl N3 O5 -","- C33 H30 Cl N3 O5 -","- C132 H120 Cl4 N12 O20 -","4","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.0792","0.0487","","","0.1118","0.1278","","","","","","1.034","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158144","13.3152","0.0019","11.0682","0.0015","20.681","","90","0.004","96.176","0.004","90","","3030.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 N3 O8 -","- C34 H31 N3 O8 -","- C136 H124 N12 O32 -","4","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.1741","0.1208","","","0.2225","0.2476","","","","","","1.117","","","","has coordinates,has disorder","268954","2021-09-06","12:34:41",""
"7158145","8.9596","0.0005","9.371","0.0006","19.8144","0.0011","99.221","0.0018","100.172","0.0017","96.4144","0.0019","1599.44","0.16","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 N4 O7 -","- C33 H26 N4 O7 -","- C66 H52 N8 O14 -","2","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.096","0.0602","","","0.1498","0.1709","","","","","","1.015","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158146","12.1728","0.0016","13.4083","0.0018","22.278","0.003","86.724","0.004","89.748","0.004","78.705","0.004","3559.8","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 N4 O7 -","- C33 H30 N4 O7 -","- C132 H120 N16 O28 -","4","2","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.2259","0.0987","","","0.2202","0.2709","","","","","","1.02","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158147","8.852","0.0007","18.3198","0.0015","18.4779","0.0017","90","","95.474","0.003","90","","2982.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 N3 O7 -","- C34 H33 N3 O7 -","- C136 H132 N12 O28 -","4","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.2193","0.0681","","","0.1163","0.1593","","","","","","1.004","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158148","11.2751","0.0007","9.4901","0.0005","27.4393","0.0016","90","","96.132","0.002","90","","2919.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 N3 O6 -","- C34 H33 N3 O6 -","- C136 H132 N12 O24 -","4","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.1388","0.0571","","","0.1148","0.144","","","","","","1.009","","","","has coordinates,has disorder","268954","2021-09-06","12:34:41",""
"7158149","16.8782","0.0003","17.0499","0.0003","19.0329","0.0004","90","","99.6071","0.0019","90","","5400.31","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N6 S4 -","- C28 H22 N6 S4 -","- C224 H176 N48 S32 -","8","1","","An, Zhenyu; Wang, Ting; Liu, Yafeng; Ren, Yi; Yan, Rulong","A catalyst-free method for the synthesis of 1,4,2-dithiazoles from isothiocyanates and hydroxylamine triflic acid salts.","Organic & biomolecular chemistry","2021","19","28","6206","6209","10.1039/d1ob00938a","","x-ray","1.54184","CuKα","","0.0459","0.0376","","","0.0978","0.1059","","","","","","1.052","","","","has coordinates","268914","2021-09-06","12:23:31",""
"7158150","9.009","0.002","9.253","0.003","13.987","0.004","106.407","0.011","94.581","0.011","91.51","0.013","1113.4","0.5","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 N O3 S2 -","- C25 H23 N O3 S2 -","- C50 H46 N2 O6 S4 -","2","1","","Xie, Jianwei; Suleman, Muhammad; Wang, Zaibin; Mao, Xinfei; Mao, Beibei; Fan, Jiale; Lu, Ping; Wang, Yanguang","Syntheses of 4-allyl-/4-allenyl-4-(arylthio)-1,4-dihydroisoquinolin-3-ones <i>via</i> the photochemical Doyle-Kirmse reaction.","Organic & biomolecular chemistry","2021","19","28","6341","6345","10.1039/d1ob00859e","","","0.71073","MoKα","","0.0324","0.031","","","0.0816","0.0827","","","","","","1.058","","","","has coordinates","268959","2021-09-06","12:38:44",""
"7158151","10.61747","0.00019","13.02984","0.00015","10.52228","0.00016","90","","101.882","0.0016","90","","1424.5","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O7 S -","- C14 H11 N O7 S -","- C56 H44 N4 O28 S4 -","4","1","","Hawkins, Paige M. E.; Liu, Dennis Y.; Linington, Roger G.; Payne, Richard J.","Solid-phase synthesis of coralmycin A/<i>epi</i>-coralmycin A and desmethoxycoralmycin A.","Organic & biomolecular chemistry","2021","19","28","6291","6300","10.1039/d1ob01062j","","x-ray","1.54184","CuKα","K-L~2,3~","0.0358","0.0344","","","0.0975","0.0992","","","","","","1.076","","","","has coordinates","268915","2021-09-06","12:23:38",""
"7158152","22.436","0.015","6.47","0.004","23.601","0.015","90","","98.711","0.009","90","","3386","4","100","2","100","2","","","","","","","no","5","C 1 2/c 1","-C 2yc","15","TMSBTO2","2,5-is(trimethylsilyl)benzo[b]thiophene dioxide","","- C14 H22 O2 S Si2 -","- C14 H22 O2 S Si2 -","- C112 H176 O16 S8 Si16 -","8","1","","Nobuhara, Keita; Inagaki, Yusuke; Setaka, Wataru","Steric effects on the intramolecular charge transfer fluorescence of benzo[<i>b</i>]thiophene-1,1-dioxide bridged macrocages.","Organic & biomolecular chemistry","2021","19","28","6328","6333","10.1039/d1ob01050f","","","0.71075","MoKα","","0.0503","0.0451","","","0.1166","0.1209","","","","","","1.073","","","","has coordinates","268907","2021-09-06","12:18:44",""
"7158153","14.159","0.003","17.002","0.004","7.473","0.0016","90","","90","","90","","1799","0.7","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C88 H72 N24 -","8","1","","Zhang, Xiaomin; Yang, Jiali; Xiong, Ni; Han, Zhe; Duan, Xinhua; Zeng, Rong","Indium-mediated annulation of 2-azidoaryl aldehydes with propargyl bromides to [1,2,3]triazolo[1,5-<i>a</i>]quinolines.","Organic & biomolecular chemistry","2021","19","28","6346","6352","10.1039/d1ob01183a","","","0.71073","MoKα","","0.0432","0.0328","","","0.0826","0.0901","","","","","","1.056","","","","has coordinates","268956","2021-09-06","12:36:10",""
"7158154","11.9277","0.0003","10.9677","0.0003","15.6981","0.0005","90","","97.067","0.003","90","","2038.02","0.1","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O4 S Si -","- C20 H26 O4 S Si -","- C80 H104 O16 S4 Si4 -","4","1","","Zhang, Ye; Guo, Jingcheng; Han, Jinna; Zhou, Xiangui; Cao, Wei; Fu, Zhenqian","Bifunctional squaramide catalyzed asymmetric synthesis of chiral α-mercaptosilanes.","Organic & biomolecular chemistry","2021","19","29","6412","6416","10.1039/d1ob00981h","","x-ray","1.54184","CuKα","","0.0591","0.0459","","","0.1203","0.1279","","","","","","1.067","","","","has coordinates","268913","2021-09-06","12:23:17",""
"7158155","12.1633","0.0009","16.9191","0.0014","20.785","0.0016","90","","90","","90","","4277.4","0.6","273","2","273.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C192 H168 N24 O24 -","8","1","","Li, Wenhui; Xin, Jie; Zhai, Pingan; Lin, Jianying; Huang, Shuangping; Gao, Wenchao; Li, Xing","Access to highly functionalized imidazolones bearing α-amino acid esters <i>via</i> KOH-promoted annulation of amidines, nitrosoarenes and malonic esters.","Organic & biomolecular chemistry","2021","19","29","6473","6477","10.1039/d1ob00930c","","","0.71073","MoKα","","0.0976","0.0551","","","0.1267","0.1476","","","","","","1.045","","","","has coordinates","268912","2021-09-06","12:23:04",""
"7158156","7.5536","0.0003","15.5289","0.0006","19.9941","0.0007","90","","98.847","0.001","90","","2317.39","0.15","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cl N O -","- C26 H22 Cl N O -","- C104 H88 Cl4 N4 O4 -","4","1","","Clarke, Joshua J.; Devaraj, Karthik; Bestvater, Brian P.; Kojima, Ryoto; Eisenberger, Patrick; DeJesus, Joseph F.; Crudden, Cathleen M.","Hydrosilylation and Mukaiyama aldol-type reaction of quinolines and hydrosilylation of imines catalyzed by a mesoionic carbene-stabilized borenium ion.","Organic & biomolecular chemistry","2021","19","31","6786","6791","10.1039/d1ob01056e","","","0.71073","MoKα","","0.0532","0.0437","","","0.116","0.1219","","","","","","1.064","","","","has coordinates","268957","2021-09-06","12:36:40",""
"7158157","8.6611","0.0003","13.0943","0.0003","10.2975","0.0003","90","","110.729","0.003","90","","1092.25","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 N3 O S -","- C26 H21 N3 O S -","- C52 H42 N6 O2 S2 -","2","1","","Vroemans, Robby; Ribone, Sergio R.; Thomas, Joice; Van Meervelt, Luc; Ollevier, Thierry; Dehaen, Wim","Synthesis of homochiral sulfanyl- and sulfoxide-substituted naphthyltriazoles and study of the conformational stability.","Organic & biomolecular chemistry","2021","19","29","6521","6526","10.1039/d1ob00784j","","x-ray","0.71073","MoKα","","0.0275","0.0262","","","0.0617","0.0626","","","","","","1.035","","","","has coordinates","268911","2021-09-06","12:22:46",""
"7158158","6.8461","0.0001","15.7021","0.0003","21.1251","0.0004","90","","90","","90","","2270.91","0.07","100.03","0.1","100.03","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O2 S -","- C26 H21 N3 O2 S -","- C104 H84 N12 O8 S4 -","4","1","","Vroemans, Robby; Ribone, Sergio R.; Thomas, Joice; Van Meervelt, Luc; Ollevier, Thierry; Dehaen, Wim","Synthesis of homochiral sulfanyl- and sulfoxide-substituted naphthyltriazoles and study of the conformational stability.","Organic & biomolecular chemistry","2021","19","29","6521","6526","10.1039/d1ob00784j","","x-ray","0.71073","MoKα","","0.0419","0.0371","","","0.0831","0.0865","","","","","","1.054","","","","has coordinates","268911","2021-09-06","12:22:46",""
"7158159","21.3972","0.0003","14.6607","0.0002","6.86195","0.00011","90","","90","","90","","2152.58","0.05","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O2 S -","- C26 H21 N3 O2 S -","- C104 H84 N12 O8 S4 -","4","1","","Vroemans, Robby; Ribone, Sergio R.; Thomas, Joice; Van Meervelt, Luc; Ollevier, Thierry; Dehaen, Wim","Synthesis of homochiral sulfanyl- and sulfoxide-substituted naphthyltriazoles and study of the conformational stability.","Organic & biomolecular chemistry","2021","19","29","6521","6526","10.1039/d1ob00784j","","x-ray","0.71073","MoKα","","0.0355","0.0318","","","0.0709","0.0723","","","","","","1.075","","","","has coordinates","268911","2021-09-06","12:22:46",""
"7158160","8.2288","0.0005","10.1233","0.0006","25.6942","0.0015","90","","90","","90","","2140.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O2 S -","- C26 H21 N3 O2 S -","- C104 H84 N12 O8 S4 -","4","1","","Vroemans, Robby; Ribone, Sergio R.; Thomas, Joice; Van Meervelt, Luc; Ollevier, Thierry; Dehaen, Wim","Synthesis of homochiral sulfanyl- and sulfoxide-substituted naphthyltriazoles and study of the conformational stability.","Organic & biomolecular chemistry","2021","19","29","6521","6526","10.1039/d1ob00784j","","x-ray","0.71073","MoKα","","0.0622","0.0464","","","0.082","0.0873","","","","","","1.042","","","","has coordinates","268911","2021-09-06","12:22:46",""
"7158161","8.694","0.002","18.217","0.004","34.494","0.009","89.931","0.004","89.94","0.004","89.969","0.005","5463","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H30 N4 O12 -","- C19 H30 N4 O12 -","- C152 H240 N32 O96 -","8","4","","Kulkarni, Pradnya; Datta, Dhrubajyoti; Ramabhadran, Raghunath O.; Ganesh, Krishna","Gem-dimethyl peptide nucleic acid (α/β/γ-<i>gdm</i>-PNA) monomers: synthesis and the role of <i>gdm</i>-substituents in preferential stabilisation of <i>Z</i>/<i>E</i>-rotamers.","Organic & biomolecular chemistry","2021","19","29","6534","6545","10.1039/d1ob01097b","","","0.71073","MoKα","","0.3769","0.1058","","","0.2067","0.3326","","","","","","0.912","","","","has coordinates","268909","2021-09-06","12:22:18",""
"7158162","9.0334","0.0002","8.7125","0.0002","12.1508","0.0003","90","","94.034","0.002","90","","953.94","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N5 O2 S2 -","- C17 H19 N5 O2 S2 -","- C34 H38 N10 O4 S4 -","2","1","","Shi, Di; Cao, Jinlian; Weng, Peimin; Yan, Xiaosheng; Li, Zhao; Jiang, Yun-Bao","Chalcogen bonding mediates the formation of supramolecular helices of azapeptides in crystals.","Organic & biomolecular chemistry","2021","19","29","6397","6401","10.1039/d1ob01053k","","","0.71073","MoKα","","0.0452","0.0401","","","0.103","0.1091","","","","","","1.054","","","","has coordinates","268910","2021-09-06","12:22:33",""
"7158163","10.1096","0.0003","8.1557","0.0002","10.7216","0.0004","90","","110.545","0.004","90","","827.78","0.05","99.97","0.11","99.97","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N4 O2 S2 -","- C15 H16 N4 O2 S2 -","- C30 H32 N8 O4 S4 -","2","1","","Shi, Di; Cao, Jinlian; Weng, Peimin; Yan, Xiaosheng; Li, Zhao; Jiang, Yun-Bao","Chalcogen bonding mediates the formation of supramolecular helices of azapeptides in crystals.","Organic & biomolecular chemistry","2021","19","29","6397","6401","10.1039/d1ob01053k","","","1.54184","CuKα","","0.0388","0.0379","","","0.0952","0.0965","","","","","","1.042","","","","has coordinates,has disorder","268910","2021-09-06","12:22:37",""
"7158164","12.3447","0.001","5.563","0.0005","17.4342","0.0015","90","","104.256","0.002","90","","1160.4","0.17","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Br N O5 -","- C20 H22 Br N O5 -","- C40 H44 Br2 N2 O10 -","2","1","","Fang, Guosheng; Wang, Hongyu; Zheng, Changwu; Pan, Lu; Zhao, Gang","Enantioselectivity switch in asymmetric Michael addition reactions using phosphonium salts.","Organic & biomolecular chemistry","2021","19","28","6334","6340","10.1039/d1ob01027a","","","0.71073","MoKα","","0.0859","0.0472","","","0.1126","0.127","","","","","","0.989","","","","has coordinates","268908","2021-09-06","12:19:38",""
"7158165","8.7747","0.0004","15.1721","0.0009","16.458","0.0009","72.036","0.002","88.944","0.002","84.345","0.002","2073.94","0.19","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C39 H32 Br F12 N2 O2 P -","- C39 H32 Br F12 N2 O2 P -","- C78 H64 Br2 F24 N4 O4 P2 -","2","2","","Fang, Guosheng; Wang, Hongyu; Zheng, Changwu; Pan, Lu; Zhao, Gang","Enantioselectivity switch in asymmetric Michael addition reactions using phosphonium salts.","Organic & biomolecular chemistry","2021","19","28","6334","6340","10.1039/d1ob01027a","","","0.71073","MoKα","","0.1529","0.1053","","","0.2673","0.3269","","","","","","1.008","","","","has coordinates,has disorder","268908","2021-09-06","12:19:45",""
"7158166","4.9637","0.0002","20.0442","0.0007","10.3335","0.0004","90","","101.298","0.004","90","","1008.19","0.07","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","SM569","","- C8 H4 F3 I N2 O3 -","- C8 H4 F3 I N2 O3 -","- C32 H16 F12 I4 N8 O12 -","4","1","","Kobayashi, Yusuke; Masakado, Sota; Murai, Takuya; Hamada, Shohei; Furuta, Takumi; Takemoto, Yoshiji","A bench-stable N-trifluoroacetyl nitrene equivalent for a simple synthesis of 2-trifluoromethyl oxazoles.","Organic & biomolecular chemistry","2021","19","30","6628","6632","10.1039/d1ob00947h","","x-ray","1.54184","CuKα","","0.065","0.0641","","","0.1774","0.1789","","","","","","1.118","","","","has coordinates","268944","2021-09-06","12:30:53",""
"7158167","7.0451","0.0017","7.3918","0.0017","12.782","0.003","76.201","0.003","81.124","0.003","73.395","0.003","616.8","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C32 H24 O6 -","2","1","","Wu, Hao; Wang, Yi-Chun; Shatskiy, Andrey; Li, Qiu-Yan; Liu, Jian-Quan; Kärkäs, Markus D; Wang, Xiang-Shan","Modular synthesis of 3-substituted isocoumarins <i>via</i> silver-catalyzed aerobic oxidation/<i>6-endo</i> heterocyclization of <i>ortho</i>-alkynylbenzaldehydes.","Organic & biomolecular chemistry","2021","19","30","6657","6664","10.1039/d1ob01065d","","","0.71073","MoKα","","0.0507","0.0454","","","0.1218","0.1317","","","","","","1.082","","","","has coordinates","268943","2021-09-06","12:30:48",""
"7158168","15.006","0.006","6.157","0.002","27.288","0.01","90","","90","","90","","2521.2","1.6","173.15","","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","1","","Lai, Huifang; Xu, Jiexin; Lin, Jin; Zha, Daijun","Copper-promoted direct amidation of isoindolinone scaffolds by sodium persulfate.","Organic & biomolecular chemistry","2021","19","35","7621","7626","10.1039/d1ob01054a","","","0.71073","MoKα","","0.0898","0.0511","","","0.1295","0.1475","","","","","","1.084","","","","has coordinates","269784","2021-10-06","16:16:11",""
"7158169","9.806","0.003","11.637","0.003","9.954","0.003","90","","105.446","0.004","90","","1094.8","0.5","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","","Lai, Huifang; Xu, Jiexin; Lin, Jin; Zha, Daijun","Copper-promoted direct amidation of isoindolinone scaffolds by sodium persulfate.","Organic & biomolecular chemistry","2021","19","35","7621","7626","10.1039/d1ob01054a","","","0.71073","MoKα","","0.0666","0.0459","","","0.131","0.1413","","","","","","1.0483","","","","has coordinates","269784","2021-10-06","16:16:11",""
"7158170","12.2987","0.0007","12.4224","0.0007","13.2018","0.0008","75.801","0.002","69.663","0.002","66.425","0.001","1720.08","0.17","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H33 Br N4 O -","- C40 H33 Br N4 O -","- C80 H66 Br2 N8 O2 -","2","1","","Nawaz, Shah; Wei, Shiqiang; Huang, Yue; Wang, Wenyao; Qu, Jingping; Wang, Baomin","Diastereoselective synthesis of indolenine-based spiro[pyrazolone-4,2'-pyrrolidine] scaffolds via 1,3-dipolar cycloaddition of 4-aminopyrazolones, aldehydes, and indolenines.","Organic & biomolecular chemistry","2021","19","32","6964","6968","10.1039/d1ob01135a","","","0.71073","MoKα","","0.085","0.0494","","","0.1373","0.1582","","","","","","1.029","","","","has coordinates","268927","2021-09-06","12:26:50",""
"7158171","10.8036","0.0009","11.4967","0.0009","15.6103","0.0014","95.672","0.007","91.026","0.007","113.558","0.008","1765.1","0.3","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C39 H32 O3 P2 -","- C39 H32 O3 P2 -","- C78 H64 O6 P4 -","2","1","","Fan, Tao; Liu, Yan; Jiang, Caina; Xu, Yanli; Chen, Yanyan","A metal-free radical cascade reaction of phosphine oxides with 2-aryloxy phenylacetylenes to synthesize diphosphonyl xanthene derivatives.","Organic & biomolecular chemistry","2021","19","30","6609","6612","10.1039/d1ob01045j","","x-ray","0.71073","MoKα","","0.1062","0.0787","","","0.1988","0.22","","","","","","1.044","","","","has coordinates","268946","2021-09-06","12:31:16",""
"7158172","8.4116","0.0004","18.7873","0.001","12.526","0.0006","90","","98.829","0.005","90","","1956.04","0.17","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 F I N O4 S -","- C19 H15 F I N O4 S -","- C76 H60 F4 I4 N4 O16 S4 -","4","1","","Habert, Loïc; Diachenko, Iryna; Retailleau, Pascal; Gillaizeau, Isabelle","Electrophile promoted cyclization of <i>ortho</i>-aryl substituted ynamides: construction of 3-amino-4-halo- or 4 seleno-isocoumarin derivatives.","Organic & biomolecular chemistry","2021","19","30","6623","6627","10.1039/d1ob01075a","","x-ray","0.71073","MoKα","","0.0524","0.0354","","","0.085","0.091","","","","","","1.043","","","","has coordinates,has disorder","268945","2021-09-06","12:31:05",""
"7158173","5.1089","0.0001","22.0087","0.0004","10.5605","0.0002","90","","99.571","0.002","90","","1170.9","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl N2 O -","- C14 H9 Cl N2 O -","- C56 H36 Cl4 N8 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0275","0.0259","","","0.0673","0.0683","","","","","","1.063","","","","has coordinates","268947","2021-09-06","12:31:54",""
"7158174","3.8797","0.0002","21.319","0.0014","14.8922","0.0009","90","","95.148","0.005","90","","1226.78","0.13","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br N3 O -","- C13 H8 Br N3 O -","- C52 H32 Br4 N12 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0666","0.0595","","","0.149","0.154","","","","","","1.099","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158175","10.21","0.0002","13.0373","0.0002","18.718","0.0003","90","","103.054","0.002","90","","2427.18","0.07","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H8 I N3 O -","- C13 H8 I N3 O -","- C104 H64 I8 N24 O8 -","8","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","0.71073","MoKα","","0.0357","0.0348","","","0.0967","0.0973","","","","","","1.18","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158176","3.7735","0.0001","10.1396","0.0002","29.0994","0.0006","90","","90.876","0.002","90","","1113.26","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cl N3 O -","- C13 H8 Cl N3 O -","- C52 H32 Cl4 N12 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0374","0.0348","","","0.0896","0.091","","","","","","1.064","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158177","12.7284","0.0003","6.7266","0.0002","14.4741","0.0004","90","","104.558","0.003","90","","1199.47","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 I N3 O -","- C13 H8 I N3 O -","- C52 H32 I4 N12 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0385","0.0359","","","0.0994","0.1013","","","","","","1.091","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158178","3.846","0.0001","9.8013","0.0002","29.8606","0.0006","90","","93.485","0.002","90","","1123.54","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3act-Cl","","- C13 H8 Cl N3 O -","- C13 H8 Cl N3 O -","- C52 H32 Cl4 N12 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0425","0.0416","","","0.1167","0.1174","","","","","","1.046","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158179","3.7981","0.0001","11.5441","0.0002","25.4972","0.0004","90","","91.106","0.002","90","","1117.73","0.04","100","0.18","100","0.18","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cl N3 O -","- C13 H8 Cl N3 O -","- C52 H32 Cl4 N12 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0403","0.0385","","","0.1046","0.1059","","","","","","1.074","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158180","4.0845","0.0001","16.1979","0.0004","19.1245","0.0004","90","","95.784","0.002","90","","1258.84","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I N2 O -","- C14 H9 I N2 O -","- C56 H36 I4 N8 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0367","0.0336","","","0.0815","0.0828","","","","","","1.11","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158181","5.2552","0.0001","15.3923","0.0003","16.4781","0.0003","90","","98.244","0.002","90","","1319.13","0.04","200","0.1","200","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 I N2 O -","- C14 H9 I N2 O -","- C56 H36 I4 N8 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","0.71073","MoKα","","0.0314","0.0261","","","0.0709","0.0732","","","","","","1.078","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158182","5.1974","0.0001","21.9187","0.0005","10.6585","0.0002","90","","100.577","0.002","90","","1193.59","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br N2 O -","- C14 H9 Br N2 O -","- C56 H36 Br4 N8 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0256","0.0244","","","0.0664","0.0671","","","","","","1.058","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158183","6.7509","0.0001","9.2249","0.0002","10.2422","0.0002","112.512","0.002","93.859","0.002","97.72","0.002","578.97","0.02","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H8 Br N3 O -","- C13 H8 Br N3 O -","- C26 H16 Br2 N6 O2 -","2","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0246","0.0244","","","0.0646","0.0648","","","","","","1.069","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158184","11.4106","0.0007","14.3958","0.0014","9.9664","0.0005","90","","94.167","0.006","90","","1632.8","0.2","293","2","293","2","","","","","","","NA","4","P 1 21/c 1","-P 2ybc","14","","2-(5-fluoro-2-(p-tolyl)-1H-indol-3-yl)ethene-1,1,2-tricarbonitrile","","- C20 H11 F N4 -","- C20 H11 F N4 -","- C80 H44 F4 N16 -","4","1","","Chakraborty, Nikita; Dahiya, Anjali; Rakshit, Amitava; Modi, Anju; Patel, Bhisma K.","An expedient route to tricyanovinylindoles and indolylmaleimides from o-alkynylanilines utilising DMSO as a one-carbon synthon.","Organic & biomolecular chemistry","2021","19","31","6847","6857","10.1039/d1ob01086g","","","0.71073","MoKα","","0.1181","0.0521","","","0.1099","0.1383","","","","","","0.952","","","","has coordinates","268955","2021-09-06","12:35:22",""
"7158185","14.4732","0.0003","8.9061","0.0002","15.9214","0.0004","90","","109.314","0.002","90","","1936.76","0.08","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N2 O4 P -","- C18 H25 N2 O4 P -","- C72 H100 N8 O16 P4 -","4","1","","Tajti, Ádám; Szabó, Kármen Emőke; Popovics-Tóth, Nóra; Iskanderov, Javad; Perdih, Franc; Hackler, László; Kari, Beáta; Puskás, László G; Bálint, Erika","PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.","Organic & biomolecular chemistry","2021","19","31","6883","6891","10.1039/d1ob01204e","","","1.54184","CuKα","","0.0575","0.0534","","","0.138","0.1431","","","","","","1.075","","","","has coordinates","268948","2021-09-06","12:32:07",""
"7158186","12.3634","0.0007","10.7573","0.0006","15.9936","0.0008","90","","101.939","0.005","90","","2081.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N3 O2 P -","- C24 H20 N3 O2 P -","- C96 H80 N12 O8 P4 -","4","1","","Tajti, Ádám; Szabó, Kármen Emőke; Popovics-Tóth, Nóra; Iskanderov, Javad; Perdih, Franc; Hackler, László; Kari, Beáta; Puskás, László G; Bálint, Erika","PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.","Organic & biomolecular chemistry","2021","19","31","6883","6891","10.1039/d1ob01204e","","x-ray","0.71073","MoKα","","0.0552","0.0426","","","0.1064","0.1167","","","","","","1.04","","","","has coordinates","268948","2021-09-06","12:32:08",""
"7158187","9.9066","0.0004","9.9454","0.0004","12.3415","0.0006","102.791","0.004","101.823","0.004","90.163","0.003","1159.14","0.09","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 N2 O5 P -","- C26 H25 N2 O5 P -","- C52 H50 N4 O10 P2 -","2","1","","Tajti, Ádám; Szabó, Kármen Emőke; Popovics-Tóth, Nóra; Iskanderov, Javad; Perdih, Franc; Hackler, László; Kari, Beáta; Puskás, László G; Bálint, Erika","PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.","Organic & biomolecular chemistry","2021","19","31","6883","6891","10.1039/d1ob01204e","","","1.54184","CuKα","","0.0442","0.0417","","","0.113","0.1163","","","","","","1.043","","","","has coordinates","268948","2021-09-06","12:32:08",""
"7158188","12.9952","0.0005","11.0767","0.0005","15.1578","0.0006","90","","93.224","0.004","90","","2178.42","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N2 O2 P -","- C26 H25 N2 O2 P -","- C104 H100 N8 O8 P4 -","4","1","","Tajti, Ádám; Szabó, Kármen Emőke; Popovics-Tóth, Nóra; Iskanderov, Javad; Perdih, Franc; Hackler, László; Kari, Beáta; Puskás, László G; Bálint, Erika","PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.","Organic & biomolecular chemistry","2021","19","31","6883","6891","10.1039/d1ob01204e","","x-ray","0.71073","MoKα","","0.0553","0.0416","","","0.1038","0.1128","","","","","","1.019","","","","has coordinates","268948","2021-09-06","12:32:08",""
"7158189","9","0.0005","11.1653","0.0008","12.3858","0.0007","115.027","0.007","91.058","0.005","113.01","0.006","1012.5","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N2 O2 P -","- C24 H21 N2 O2 P -","- C48 H42 N4 O4 P2 -","2","1","","Tajti, Ádám; Szabó, Kármen Emőke; Popovics-Tóth, Nóra; Iskanderov, Javad; Perdih, Franc; Hackler, László; Kari, Beáta; Puskás, László G; Bálint, Erika","PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.","Organic & biomolecular chemistry","2021","19","31","6883","6891","10.1039/d1ob01204e","","x-ray","0.71073","MoKα","","0.0593","0.0433","","","0.0999","0.1114","","","","","","1.03","","","","has coordinates","268948","2021-09-06","12:32:08",""
"7158190","9.32193","0.00005","15.92387","0.00009","17.03098","0.00008","90","","91.9636","0.0004","90","","2526.61","0.02","299.51","0.12","299.51","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 O5 P -","- C30 H25 O5 P -","- C120 H100 O20 P4 -","4","1","","Zheng, Shi-Lu; Zou, Yun-Xiang; Wen, Zhong; Lin, Jia-Fu; Gu, Ling-Hui; Chen, Long","Y(OTf)<sub>3</sub>-catalyzed phosphorylation of 2H-chromene hemiacetals with P(O)-H compounds to 2-phosphorylated 2H-chromenes.","Organic & biomolecular chemistry","2021","19","31","6812","6816","10.1039/d1ob01221e","","x-ray","1.54184","CuKα","","0.0417","0.0398","","","0.1079","0.1095","","","","","","1.067","","","","has coordinates","268906","2021-09-06","12:18:37",""
"7158191","10.7889","0.0003","23.8675","0.0005","11.6684","0.0005","90","","113.658","0.004","90","","2752.14","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 N O6 S -","- C32 H29 N O6 S -","- C128 H116 N4 O24 S4 -","4","1","","Lodhi, Rajni; Prakash, Meher; Samanta, Sampak","Diastereoselective desymmetrization reactions of prochiral para-quinamines with cyclopropenes generated in situ: access to fused hydroindol-5-one scaffolds.","Organic & biomolecular chemistry","2021","19","33","7129","7133","10.1039/d1ob01322j","","x-ray","1.54184","CuKα","","0.1249","0.1028","","","0.2615","0.302","","","","","","1.64","","","","has coordinates","268935","2021-09-06","12:28:43",""
"7158192","11.168","0.002","15.73","0.002","18.35","0.003","90","","105.575","0.013","90","","3105.2","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cl N O4 -","- C17 H14 Cl N O4 -","- C136 H112 Cl8 N8 O32 -","8","2","","Ge, Yuhua; Chen, Xingyue; Dong, Yi; Wang, Hua-Nan; Li, Yangyan; Chen, Gang","Access to benzene-modified 2<sup>nd</sup> generation strigolactams and GR24 by merging C-H olefination with decarboxylative Giese cyclization.","Organic & biomolecular chemistry","2021","19","33","7141","7146","10.1039/d1ob01234g","","","1.54178","CuKα","","0.0595","0.0446","","","0.12","0.1303","","","","","","1.051","","","","has coordinates","268936","2021-09-06","12:28:51",""
"7158193","12.588","0.003","7.415","0.002","16.351","0.004","90","","100.998","0.018","90","","1498.2","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Cl O5 -","- C17 H13 Cl O5 -","- C68 H52 Cl4 O20 -","4","1","","Ge, Yuhua; Chen, Xingyue; Dong, Yi; Wang, Hua-Nan; Li, Yangyan; Chen, Gang","Access to benzene-modified 2<sup>nd</sup> generation strigolactams and GR24 by merging C-H olefination with decarboxylative Giese cyclization.","Organic & biomolecular chemistry","2021","19","33","7141","7146","10.1039/d1ob01234g","","","1.54178","CuKα","","0.0422","0.0359","","","0.095","0.1","","","","","","1.036","","","","has coordinates","268936","2021-09-06","12:28:54",""
"7158194","9.97","0.0003","11.919","0.0003","12.5827","0.0004","90","","90","","90","","1495.23","0.08","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C1.55 H1.45 O0.45 -","- C1.54545 H1.45455 O0.454545 -","- C68 H64 O20 -","44","11","","Chen, Yan-Shan; Zheng, Yu; Chen, Zhi-Jun; Xie, Zhen-Zhen; He, Xian-Chen; Xiao, Jun-An; Chen, Kai; Xiang, Hao-Yue; Yang, Hua","A phosphine-catalysed one-pot domino sequence to access cyclopentene-fused coumarins.","Organic & biomolecular chemistry","2021","19","32","7074","7080","10.1039/d1ob01143j","","","0.71073","MoKα","","0.044","0.0407","","","0.1198","0.1239","","","","","","1.018","","","","has coordinates","268929","2021-09-06","12:27:16",""
"7158195","10.2334","0.0013","12.1426","0.0015","12.2272","0.0015","115.446","0.004","93.73","0.004","103.262","0.004","1312","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 O8 -","- C32 H28 O8 -","- C64 H56 O16 -","2","1","","Chen, Yan-Shan; Zheng, Yu; Chen, Zhi-Jun; Xie, Zhen-Zhen; He, Xian-Chen; Xiao, Jun-An; Chen, Kai; Xiang, Hao-Yue; Yang, Hua","A phosphine-catalysed one-pot domino sequence to access cyclopentene-fused coumarins.","Organic & biomolecular chemistry","2021","19","32","7074","7080","10.1039/d1ob01143j","","","0.71076","MoKα","","0.0996","0.0494","","","0.1122","0.1323","","","","","","1.017","","","","has coordinates","268929","2021-09-06","12:27:16",""
"7158196","8.9293","0.0005","10.0916","0.0006","18.8422","0.001","90","","96.1923","0.0016","90","","1687.98","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","1","","Chen, Yan-Shan; Zheng, Yu; Chen, Zhi-Jun; Xie, Zhen-Zhen; He, Xian-Chen; Xiao, Jun-An; Chen, Kai; Xiang, Hao-Yue; Yang, Hua","A phosphine-catalysed one-pot domino sequence to access cyclopentene-fused coumarins.","Organic & biomolecular chemistry","2021","19","32","7074","7080","10.1039/d1ob01143j","","","0.71076","MoKα","","0.0622","0.0454","","","0.107","0.1149","","","","","","1.056","","","","has coordinates","268929","2021-09-06","12:27:16",""
"7158197","10.1542","0.0002","13.7673","0.0003","14.3456","0.0003","72.6361","0.0019","88.2388","0.0016","74.6748","0.0018","1843.48","0.07","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H33 Cl2 I2 O P2 Rh -","- C38 H33 Cl2 I2 O P2 Rh -","- C76 H66 Cl4 I4 O2 P4 Rh2 -","2","1","","Okada, Masaki; Takeuchi, Katsuhiko; Matsumoto, Kazuhiro; Oku, Tomoharu; Choi, Jun-Chul","Hydroxycarbonylation of alkenes with formic acid using a rhodium iodide complex and alkyl ammonium iodide.","Organic & biomolecular chemistry","2021","19","40","8727","8734","10.1039/d1ob01060c","","","0.71073","MoKα","","0.0256","0.0247","","","0.0678","0.068","","","","","","1.305","","","","has coordinates","270507","2021-11-06","20:42:37",""
"7158198","8.6227","0.001","11.3588","0.0012","11.8411","0.0017","117.309","0.013","91.977","0.011","96.236","0.01","1019.7","0.3","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C50 H50 N2 O6 -","2","1","","Ding, Weiwei; Zhang, Gang","Access to fused π-extended acridone derivatives through a regioselective oxidative demethylation.","Organic & biomolecular chemistry","2021","19","32","6985","6989","10.1039/d1ob01249e","","x-ray","1.54184","CuKα","","0.1154","0.0936","","","0.2981","0.3188","","","","","","1.089","","","","has coordinates","268928","2021-09-06","12:27:05",""
"7158199","11.7193","0.0008","25.313","0.002","11.1041","0.001","90","","105.097","0.009","90","","3180.3","0.5","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 Cl6 N3 O2 -","- C32 H27 Cl6 N3 O2 -","- C128 H108 Cl24 N12 O8 -","4","1","","Ding, Weiwei; Zhang, Gang","Access to fused π-extended acridone derivatives through a regioselective oxidative demethylation.","Organic & biomolecular chemistry","2021","19","32","6985","6989","10.1039/d1ob01249e","","x-ray","0.71073","MoKα","","0.0916","0.0668","","","0.1583","0.1756","","","","","","1.038","","","","has coordinates","268928","2021-09-06","12:27:09",""
"7158200","11.5804","0.0004","12.1813","0.0006","12.9925","0.0005","101.203","0.004","101.376","0.003","103.039","0.003","1694.85","0.13","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H29 Cl6 N3 O2 -","- C36 H29 Cl6 N3 O2 -","- C72 H58 Cl12 N6 O4 -","2","1","","Ding, Weiwei; Zhang, Gang","Access to fused π-extended acridone derivatives through a regioselective oxidative demethylation.","Organic & biomolecular chemistry","2021","19","32","6985","6989","10.1039/d1ob01249e","","x-ray","1.54184","CuKα","","0.0564","0.0465","","","0.1186","0.1267","","","","","","1.038","","","","has coordinates","268928","2021-09-06","12:27:09",""
"7158201","11.613","0.002","10.494","0.002","15.562","0.003","90","","91.952","0.006","90","","1895.4","0.6","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.","Organic & biomolecular chemistry","2021","19","31","6871","6882","10.1039/d1ob00925g","","","0.71073","MoKα","","0.064","0.0436","","","0.1065","0.1138","","","","","","1.087","","","","has coordinates","268958","2021-09-06","12:37:51",""
"7158202","9.8974","0.0002","9.9589","0.0003","11.7524","0.0003","90.477","0.002","106.658","0.002","116.051","0.002","984.84","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N O2 S2 -","- C21 H19 N O2 S2 -","- C42 H38 N2 O4 S4 -","2","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.","Organic & biomolecular chemistry","2021","19","31","6871","6882","10.1039/d1ob00925g","","","0.71073","MoKα","","0.0557","0.0457","","","0.1261","0.1339","","","","","","1.08","","","","has coordinates","268958","2021-09-06","12:37:56",""
"7158203","10.0494","0.0011","10.1081","0.001","10.9713","0.001","104.997","0.003","112.432","0.003","95.785","0.004","969.89","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cl N O2 S -","- C22 H18 Cl N O2 S -","- C44 H36 Cl2 N2 O4 S2 -","2","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.","Organic & biomolecular chemistry","2021","19","31","6871","6882","10.1039/d1ob00925g","","","0.71073","MoKα","","0.0402","0.0343","","","0.0882","0.0918","","","","","","1.048","","","","has coordinates","268958","2021-09-06","12:38:08",""
"7158204","20.5737","0.0008","6.0343","0.0002","14.7085","0.0008","90","","104.444","0.004","90","","1768.31","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C80 H84 N4 O8 S4 -","4","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.","Organic & biomolecular chemistry","2021","19","31","6871","6882","10.1039/d1ob00925g","","","0.71073","MoKα","","0.0901","0.0555","","","0.1453","0.1692","","","","","","1.095","","","","has coordinates","268958","2021-09-06","12:38:16",""
"7158205","9.9875","0.0002","14.1732","0.0003","14.8341","0.0003","83.86","0.002","80.349","0.002","74.882","0.002","1994.06","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 N2 O4 S2 -","- C46 H42 N2 O4 S2 -","- C92 H84 N4 O8 S4 -","2","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.","Organic & biomolecular chemistry","2021","19","31","6871","6882","10.1039/d1ob00925g","","","0.71073","MoKα","","0.0852","0.0543","","","0.1371","0.1546","","","","","","1.086","","","","has coordinates","268958","2021-09-06","12:38:33",""
"7158206","12.7742","0.0002","7.1824","0.0001","15.7199","0.0002","90","","90","","90","","1442.29","0.04","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 I2 N2 -","- C12 H13.5 I2 N2 -","- C48 H54 I8 N8 -","4","0.5","","Sysoeva, Alexandra A.; Novikov, Alexander S.; Il'in, Mikhail V.; Suslonov, Vitalii V.; Bolotin, Dmitrii S.","Predicting the catalytic activity of azolium-based halogen bond donors: an experimentally-verified theoretical study.","Organic & biomolecular chemistry","2021","19","35","7611","7620","10.1039/d1ob01158h","","x-ray","1.54184","CuKα","","0.0222","0.0216","","","0.053","0.0535","","","","","","1.062","","","","has coordinates,has disorder","269785","2021-10-06","16:16:19",""
"7158207","8.3762","0.0004","14.1584","0.0007","14.0266","0.0007","90","","97.152","0.004","90","","1650.52","0.14","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F3 I N2 O3 S -","- C13 H14 F3 I N2 O3 S -","- C52 H56 F12 I4 N8 O12 S4 -","4","1","","Sysoeva, Alexandra A.; Novikov, Alexander S.; Il'in, Mikhail V.; Suslonov, Vitalii V.; Bolotin, Dmitrii S.","Predicting the catalytic activity of azolium-based halogen bond donors: an experimentally-verified theoretical study.","Organic & biomolecular chemistry","2021","19","35","7611","7620","10.1039/d1ob01158h","","x-ray","1.54184","CuKα","","0.026","0.0252","","","0.0653","0.0659","","","","","","1.049","","","","has coordinates","269785","2021-10-06","16:16:19",""
"7158208","14.6499","0.0002","16.45897","0.00018","28.2119","0.0004","90","","95.483","0.0012","90","","6771.39","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 I2 N2 -","- C7 H12 I2 N2 -","- C168 H288 I48 N48 -","24","3","","Sysoeva, Alexandra A.; Novikov, Alexander S.; Il'in, Mikhail V.; Suslonov, Vitalii V.; Bolotin, Dmitrii S.","Predicting the catalytic activity of azolium-based halogen bond donors: an experimentally-verified theoretical study.","Organic & biomolecular chemistry","2021","19","35","7611","7620","10.1039/d1ob01158h","","x-ray","1.54184","CuKα","","0.0441","0.0423","","","0.1134","0.1154","","","","","","1.05","","","","has coordinates","269785","2021-10-06","16:16:19",""
"7158209","5.8983","0.0001","15.4491","0.0002","15.8136","0.0003","90","","90","","90","","1440.99","0.04","303","2","303","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 F2 N O S2 -","- C15 H11 F2 N O S2 -","- C60 H44 F8 N4 O4 S8 -","4","1","","Zhang, Yifang; Wang, Qian; Peng, Yi; Gong, Haiying; Chen, Hua; Deng, Hongmei; Hao, Jian; Wan, Wen","Metal-free, oxidative decarboxylation of aryldifluoroacetic acid with the formation of the ArS-CF<sub>2</sub> bond.","Organic & biomolecular chemistry","2021","19","32","7024","7030","10.1039/d1ob01165k","","","1.54178","CuKα","","0.0292","0.0291","","","0.0902","0.0904","","","","","","1.065","","","","has coordinates","268925","2021-09-06","12:26:17",""
"7158210","10.2144","0.0002","15.935","0.0005","17.0604","0.0004","90","","90","","90","","2776.86","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2.69 H1.85 N0 O0.15 S0.15 -","- C2.69231 H1.84615 O0.153846 S0.153846 -","- C140 H96 O8 S8 -","52","13","","Yue, Yuanyuan; Chao, Junli; Wang, Zhiyue; Yang, Yan; Ye, Yaqing; Sun, Chunying; Guo, Xiaohui; Liu, Jianming","Electrooxidative double C-H/C-H coupling of phenols with 3-phenylbenzothiophenes: facile access to benzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","33","7156","7160","10.1039/d1ob01208h","","","1.54184","CuKα","","0.094","0.0778","","","0.281","0.2921","","","","","","0.992","","","","has coordinates","268933","2021-09-06","12:28:24",""
"7158211","11.359","0.003","12.15","0.003","19.406","0.005","90","","94.359","0.007","90","","2670.5","1.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3'R,4'S)-3'-(3,4-dimethoxyphenyl)-1''-phenyl-5'-thioxodispiro[indene-2,2'-pyrrolidine-4',3''-pyrrolidine]-1,4'',5''(3H)-trione","","- C29 H24 N2 O5 S -","- C29 H24 N2 O5 S -","- C116 H96 N8 O20 S4 -","4","2","","Hou, Xi-Qiang; Wen, Jiang-Bo; Yan, Li; Du, Da-Ming","Squaramide-catalysed asymmetric Michael addition/cyclization cascade reaction of 4-arylmethylidene-2,3-dioxopyrrolidines with 2-isothiocyanato-1-indanones.","Organic & biomolecular chemistry","2021","19","33","7181","7185","10.1039/d1ob01223a","","","0.71073","MoKα","","0.0998","0.0674","","","0.1654","0.18","","","","","","0.966","","","","has coordinates","268932","2021-09-06","12:28:11",""
"7158212","3.9964","0.0003","38.647","0.003","8.7063","0.0005","90","","97.942","0.003","90","","1331.78","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Ali, Saghir; Khan, Abu T.","Metal-free synthesis of quinoline-2,4-dicarboxylate derivatives using aryl amines and acetylenedicarboxylates through a pseudo three-component reaction.","Organic & biomolecular chemistry","2021","19","32","7041","7050","10.1039/d1ob01188j","","","0.71073","MoKα","","0.086","0.0587","","","0.1844","0.2032","","","","","","1.262","","","","has coordinates","268926","2021-09-06","12:26:32",""
"7158213","17.7971","0.0005","10.5432","0.0003","10.0972","0.0003","90","","90.796","0.003","90","","1894.44","0.09","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C96 H76 N4 O12 -","4","1","","Liu, Fengting; Wang, Min; Qu, Jiatong; Lu, Haifeng; Gao, Hongyin","Synthesis of non-C<sub>2</sub> symmetrical NOBIN-type biaryls through a cascade N-arylation and [3,3]-sigmatropic rearrangement from O-arylhydroxylamines and diaryliodonium salts.","Organic & biomolecular chemistry","2021","19","33","7246","7251","10.1039/d1ob00636c","","x-ray","1.54184","CuKα","","0.0605","0.0551","","","0.1427","0.1484","","","","","","1.047","","","","has coordinates","268930","2021-09-06","12:27:37",""
"7158214","9.4667","0.0004","10.6302","0.0004","12.236","0.0004","97.174","0.003","111.174","0.003","92.35","0.003","1134.28","0.08","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H23 N O3 -","- C30 H23 N O3 -","- C60 H46 N2 O6 -","2","1","","Liu, Fengting; Wang, Min; Qu, Jiatong; Lu, Haifeng; Gao, Hongyin","Synthesis of non-C<sub>2</sub> symmetrical NOBIN-type biaryls through a cascade N-arylation and [3,3]-sigmatropic rearrangement from O-arylhydroxylamines and diaryliodonium salts.","Organic & biomolecular chemistry","2021","19","33","7246","7251","10.1039/d1ob00636c","","x-ray","1.54184","CuKα","","0.0392","0.0349","","","0.0883","0.0912","","","","","","1.045","","","","has coordinates","268930","2021-09-06","12:27:49",""
"7158215","8.7634","0.0002","10.22041","0.00019","10.3147","0.0002","83.8073","0.0016","70.137","0.002","83.8485","0.0017","861.35","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Br N O2 -","- C22 H16 Br N O2 -","- C44 H32 Br2 N2 O4 -","2","1","","Aksenov, Alexander V.; Arutiunov, Nikolai A.; Kirilov, Nikita K.; Aksenov, Dmitrii A.; Grishin, Igor Yu; Aksenov, Nicolai A.; Wang, Huifen; Du, Liqin; Betancourt, Tania; Pelly, Stephen C.; Kornienko, Alexander; Rubin, Michael","[3 + 2]-Annulation of pyridinium ylides with 1-chloro-2-nitrostyrenes unveils a tubulin polymerization inhibitor.","Organic & biomolecular chemistry","2021","19","33","7234","7245","10.1039/d1ob01141c","","x-ray","1.54184","CuKα","","0.036","0.0345","","","0.0834","0.0845","","","","","","1.032","","","","has coordinates","268931","2021-09-06","12:28:00",""
"7158216","6.2068","0.0002","9.6747","0.0003","23.6894","0.0006","90","","90","","90","","1422.52","0.07","160","","160","","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","1","","Zhang, Cun; Wang, Bianlin; Aibibula, Paruke; Zhao, Jiangyu; Aisa, Haji Akber","Enantioselective construction of substituted pyridine and a seven-membered carbocyclic skeleton: biomimetic synthesis of (-)-rupestine D, (-)-guaipyridine, (-)-epiguaipyridine, and (-)-cananodine and their stereoisomers.","Organic & biomolecular chemistry","2021","19","32","7081","7084","10.1039/d1ob01299a","","","1.54178","CuKα","","0.0331","0.031","","","0.0733","0.075","","","","","","1.05","","","","has coordinates","268924","2021-09-06","12:26:10",""
"7158217","4.9824","0.0002","11.7685","0.0005","10.6674","0.0005","90","","101.617","0.002","90","","612.67","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","Rupestine D","Rupestine D","","- C14 H19 N O -","- C14 H19 N O -","- C28 H38 N2 O2 -","2","1","","Zhang, Cun; Wang, Bianlin; Aibibula, Paruke; Zhao, Jiangyu; Aisa, Haji Akber","Enantioselective construction of substituted pyridine and a seven-membered carbocyclic skeleton: biomimetic synthesis of (-)-rupestine D, (-)-guaipyridine, (-)-epiguaipyridine, and (-)-cananodine and their stereoisomers.","Organic & biomolecular chemistry","2021","19","32","7081","7084","10.1039/d1ob01299a","","","1.54178","CuKα","","0.0395","0.0383","","","0.1012","0.1025","","","","","","1.073","","","","has coordinates","268924","2021-09-06","12:26:11",""
"7158218","11.7384","0.001","5.679","0.005","12.3352","0.001","90","","116.405","0.018","90","","736.5","0.7","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H14 B F N2 O2 -","- C17 H14 B F N2 O2 -","- C34 H28 B2 F2 N4 O4 -","2","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.0468","0.0381","","","0.1074","0.1424","","","","","","1.052","","","","has coordinates","268951","2021-09-06","12:33:28",""
"7158219","5.2329","0.0002","24.0253","0.0011","21.2592","0.001","90","","95.778","0.003","90","","2659.2","0.2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","aPh-BFPh","","- C31 H26 B Cl2 F N2 O2 -","- C31 H26 B Cl2 F N2 O2 -","- C124 H104 B4 Cl8 F4 N8 O8 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.8","Synchrotron","","0.0427","0.0424","","","0.1136","0.114","","","","","","1.07","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158220","8.886","0.003","11.226","0.004","17.787","0.004","90.896","0.008","98.176","0.006","110.456","0.015","1641.5","0.9","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 B F N2 O4.5 -","- C18 H14 B F N2 O4.5 -","- C72 H56 B4 F4 N8 O18 -","4","2","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.0582","0.053","","","0.1467","0.15","","","","","","1.029","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158221","11.069","0.003","30.848","0.009","17.795","0.005","90","","91.689","0.007","90","","6074","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H30 B N2 O5.5 -","- C34.5 H30 B N2 O5.5 -","- C276 H240 B8 N16 O44 -","8","2","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.4275","Synchrotron","","0.1126","0.0737","","","0.1903","0.213","","","","","","1.127","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158222","5.237","0.001","8.7976","0.0015","34.892","0.005","90","","91.923","0.01","90","","1606.7","0.5","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 B F N2 O4 -","- C18 H14 B F N2 O4 -","- C72 H56 B4 F4 N8 O16 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.81088","Synchrotron","","0.2164","0.0867","","","0.17","0.227","","","","","","0.943","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158223","9.206","0.013","20.92","0.05","13.58","0.02","90","","98.09","0.17","90","","2589","8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H69 B F N3 O6 -","- C44 H69 B F N3 O6 -","- C88 H138 B2 F2 N6 O12 -","2","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.4275","Synchrotron","","0.0603","0.0544","","","0.1517","0.1714","","","","","","1.159","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158224","5.8897","0.0003","15.6222","0.0007","18.0449","0.0008","90","","96.961","0.003","90","","1648.07","0.13","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 B F N2 O4 -","- C18 H14 B F N2 O4 -","- C72 H56 B4 F4 N8 O16 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.81088","Synchrotron","","0.0516","0.0457","","","0.1157","0.1194","","","","","","1.11","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158225","12.248","0.004","12.839","0.003","14.136","0.003","109.103","0.001","99.474","0.009","108.353","0.007","1902.8","0.9","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 B F N2 O5 -","- C20 H18 B F N2 O5 -","- C80 H72 B4 F4 N8 O20 -","4","2","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.0396","0.0353","","","0.0966","0.0986","","","","","","1.082","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158226","12.2597","0.0005","18.3041","0.0007","15.13","0.0006","90","","90.384","0.003","90","","3395.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H49 B F N3 O4 -","- C34 H49 B F N3 O4 -","- C136 H196 B4 F4 N12 O16 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.78201","Synchrotron","","0.1254","0.0719","","","0.1741","0.2276","","","","","","1.091","","","","has coordinates,has disorder","268951","2021-09-06","12:33:29",""
"7158227","8.819","0.004","19.343","0.007","22.015","0.008","90","","90","","90","","3755","3","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H50 B Cl F N3 O2 -","- C41 H50 B Cl F N3 O2 -","- C164 H200 B4 Cl4 F4 N12 O8 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.0555","0.0451","","","0.1221","0.1281","","","","","","1.061","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158228","10.015","0.0008","11.0473","0.0013","18.5628","0.0016","88.109","0.009","76.917","0.005","87.736","0.01","1998.3","0.3","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H46 B Cl3 F N5 O2 -","- C46.003 H46 B Cl3 F N5 O2 -","- C92.006 H92 B2 Cl6 F2 N10 O4 -","2","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.043","0.0369","","","0.1062","0.1091","","","","","","1.094","","","","has coordinates,has disorder","268951","2021-09-06","12:33:29",""
"7158229","14.507","0.003","9.3436","0.0017","14.134","0.003","90","","90","","90","","1915.8","0.7","95","2","95","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C21 H19 B N2 O5 -","- C21 H19 B N2 O5 -","- C84 H76 B4 N8 O20 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.8104","Synchrotron","","0.0552","0.0488","","","0.123","0.1302","","","","","","1.031","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158230","6.8865","0.0007","22.291","0.003","25.817","0.002","90","","90","","90","","3963.1","0.7","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H17 F N2 O3 -","- C26 H17 F N2 O3 -","- C208 H136 F8 N16 O24 -","8","1","","Yadav, Maruti B.; Jeong, Yeon Tae","A one-pot ring-closure and ring-opening sequence for the cascade synthesis of dihydrofurofurans and functionalized furans.","Organic & biomolecular chemistry","2021","19","34","7409","7419","10.1039/d1ob01300a","","","0.71073","MoKα","","0.0479","0.0378","","","0.097","0.1041","","","","","","1.038","","","","has coordinates","268950","2021-09-06","12:32:38",""
"7158231","17.799","0.003","9.2371","0.0019","18.139","0.003","90","","114.941","0.004","90","","2704.1","0.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 N2 O4 -","- C33 H26 N2 O4 -","- C132 H104 N8 O16 -","4","1","","Yadav, Maruti B.; Jeong, Yeon Tae","A one-pot ring-closure and ring-opening sequence for the cascade synthesis of dihydrofurofurans and functionalized furans.","Organic & biomolecular chemistry","2021","19","34","7409","7419","10.1039/d1ob01300a","","","0.71073","MoKα","","0.2063","0.0629","","","0.1336","0.2023","","","","","","0.989","","","","has coordinates","268950","2021-09-06","12:32:49",""
"7158232","6.2951","0.0002","7.8493","0.0003","16.3441","0.0005","80.613","0.003","85.44","0.003","89.52","0.003","794.25","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C36 H44 N4 O4 -","2","1","","Pradhan, Subham; Thiyagarajan, Subramanian; Gunanathan, Chidambaram","Ruthenium(ii)-catalysed 1,2-selective hydroboration of aldazines.","Organic & biomolecular chemistry","2021","19","33","7147","7151","10.1039/d1ob01218e","","x-ray","1.54184","CuKα","","0.0501","0.0464","","","0.131","0.1353","","","","","","1.074","","","","has coordinates","268934","2021-09-06","12:28:37",""
"7158233","5.3374","0.0001","17.4593","0.0002","16.6786","0.0002","90","","93.097","0.001","90","","1551.96","0.04","246","16","246","16","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N2 S2 -","- C16 H18 N2 S2 -","- C64 H72 N8 S8 -","4","1","","Pradhan, Subham; Thiyagarajan, Subramanian; Gunanathan, Chidambaram","Ruthenium(ii)-catalysed 1,2-selective hydroboration of aldazines.","Organic & biomolecular chemistry","2021","19","33","7147","7151","10.1039/d1ob01218e","","x-ray","1.54184","CuKα","","0.0373","0.036","","","0.1026","0.1037","","","","","","1.047","","","","has coordinates","268934","2021-09-06","12:28:37",""
"7158234","8.253","0.0002","8.2551","0.0002","14.7902","0.0002","94.559","0.002","102.195","0.002","117.627","0.003","854.1","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H26 N2 -","- C20 H26 N2 -","- C40 H52 N4 -","2","1","","Pradhan, Subham; Thiyagarajan, Subramanian; Gunanathan, Chidambaram","Ruthenium(ii)-catalysed 1,2-selective hydroboration of aldazines.","Organic & biomolecular chemistry","2021","19","33","7147","7151","10.1039/d1ob01218e","","x-ray","1.54184","CuKα","","0.0614","0.0602","","","0.1621","0.163","","","","","","1.038","","","","has coordinates","268934","2021-09-06","12:28:37",""
"7158235","16.1778","0.001","11.4254","0.0007","18.2577","0.0011","90","","90","","90","","3374.7","0.4","182","","182","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H17 F3 O2 -","- C22 H17 F3 O2 -","- C176 H136 F24 O16 -","8","1","","Gao, Wangxi; Niu, Lixin; Wang, Tao; Liang, Yong; Wang, Ding; Zhang, Zunting","Synthesis of cis/trans-dihydrochromenones via a photoinduced rearrangement of 4-phenyl-3-aryl/cyclohexenylcoumarins.","Organic & biomolecular chemistry","2021","19","33","7176","7180","10.1039/d1ob01058a","","","0.71073","MoKα","","0.0387","0.0337","","","0.089","0.0931","","","","","","1.053","","","","has coordinates","268937","2021-09-06","12:29:00",""
"7158236","9.42743","0.00015","9.8509","0.0002","24.0927","0.0004","90","","90","","90","","2237.46","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N2 O5 S -","- C24 H22 N2 O5 S -","- C96 H88 N8 O20 S4 -","4","1","","Yang, Zinan; He, Huakang; Tian, Rui; Wu, Ruoran; Hu, Sheng; Wu, Yue; Zhou, Hui","A zinc/PyBisulidine catalyzed asymmetric Mannich reaction of N-tosyl imines with 3-acyloxy-2-oxindoles","Organic & Biomolecular Chemistry","2021","19","34","7460","7469","10.1039/D1OB01328A","","x-ray","1.54184","CuKα","","0.0561","0.0498","","","0.1295","0.1366","","","","","","1.041","","","","has coordinates","268953","2021-09-06","12:33:45",""
"7158237","6.4713","0.0009","9.6298","0.0012","48.285","0.007","90","","90","","90","","3009","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Br N O7 P -","- C32 H35 Br N O7 P -","- C128 H140 Br4 N4 O28 P4 -","4","1","","Jaiswal, Manish K.; Singh, Sanjay; Singh, Ravi P.","Enantioselective vinylogous aldol reaction of acylphosphonates with 3-alkylidene oxindoles.","Organic & biomolecular chemistry","2021","19","36","7861","7866","10.1039/d1ob00140j","","","0.71073","MoKα","","0.0418","0.0393","","","0.1197","0.1214","","","","","","0.969","","","","has coordinates","269782","2021-10-06","16:15:56",""
"7158238","6.5171","0.0003","9.8455","0.0006","48.456","0.003","90","","90","","90","","3109.1","0.3","302","2","302","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Br N O7 P -","- C32 H35 Br N O7 P -","- C128 H140 Br4 N4 O28 P4 -","4","1","","Jaiswal, Manish K.; Singh, Sanjay; Singh, Ravi P.","Enantioselective vinylogous aldol reaction of acylphosphonates with 3-alkylidene oxindoles.","Organic & biomolecular chemistry","2021","19","36","7861","7866","10.1039/d1ob00140j","","","0.71073","MoKα","","0.0908","0.0489","","","0.12","0.1455","","","","","","0.819","","","","has coordinates","269782","2021-10-06","16:15:56",""
"7158239","9.5302","0.0003","9.5302","0.0003","19.3236","0.0005","90","","90","","90","","1755.06","0.09","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C19 H17 F N2 O5 -","- C19 H17 F N2 O5 -","- C76 H68 F4 N8 O20 -","4","1","","Chen, Huiqing; Tang, Jie; Liu, Ting; Yu, Li-Fang; Xing, Dong; Yang, Fan","Enantioselective synthesis of chiral 3-alkyl-3-nitro-4-chromanones via chiral thiourea-catalysed intramolecular Michael-type cyclization.","Organic & biomolecular chemistry","2021","19","34","7403","7408","10.1039/d1ob01296g","","","1.54178","CuKα","","0.0307","0.029","","","0.0713","0.0726","","","","","","1.048","","","","has coordinates","268949","2021-09-06","12:32:25",""
"7158240","11.7188","0.0009","11.8757","0.0009","13.5901","0.001","90","","90","","90","","1891.3","0.2","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H10 Br I N2 -","- C6 H10 Br I N2 -","- C48 H80 Br8 I8 N16 -","8","1","","Alvarez, Marie Stacey; Houzé, Cedric; Groni, Sihem; Schöllhorn, Bernd; Fave, Claire","Halogen bonding effect on electrochemical anion oxidation in ionic liquids.","Organic & biomolecular chemistry","2021","19","35","7587","7593","10.1039/d1ob01031j","","","0.71073","MoKα","","0.0382","0.0263","","","0.061","0.0696","","","","","","1.111","","","","has coordinates","269786","2021-10-06","16:16:39",""
"7158241","15.7331","0.0003","13.3955","0.0003","23.5749","0.0005","90","","90","","90","","4968.47","0.18","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H20 I6 N4 -","- C12 H20 I6 N4 -","- C96 H160 I48 N32 -","8","1","","Alvarez, Marie Stacey; Houzé, Cedric; Groni, Sihem; Schöllhorn, Bernd; Fave, Claire","Halogen bonding effect on electrochemical anion oxidation in ionic liquids.","Organic & biomolecular chemistry","2021","19","35","7587","7593","10.1039/d1ob01031j","","","0.71073","MoKα","","0.0371","0.0267","","","0.0573","0.0626","","","","","","1.051","","","","has coordinates,has disorder","269786","2021-10-06","16:16:39",""
"7158242","4.34","0.0009","25.45","0.005","11.54","0.002","90","","99.909","0.012","90","","1255.6","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N7 -","- C13 H9 N7 -","- C52 H36 N28 -","4","1","","Tsyrenova, Biligma D.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","Synthesis of blue light emitting heterocycles <i>via</i> cyclization of 2-pyridine derived 4-azido-r1,2,3-triazoles.","Organic & biomolecular chemistry","2021","19","37","8140","8152","10.1039/d1ob01084k","","","0.79313","synchrotron","","0.1306","0.0572","","","0.1423","0.1853","","","","","","1.013","","","","has coordinates","269769","2021-10-06","16:12:43",""
"7158243","7.2746","0.001","13.4066","0.0018","10.9808","0.0016","90","","95.693","0.003","90","","1065.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N5 -","- C13 H9 N5 -","- C52 H36 N20 -","4","1","","Tsyrenova, Biligma D.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","Synthesis of blue light emitting heterocycles <i>via</i> cyclization of 2-pyridine derived 4-azido-r1,2,3-triazoles.","Organic & biomolecular chemistry","2021","19","37","8140","8152","10.1039/d1ob01084k","","","0.71073","MoKα","","0.0718","0.049","","","0.1233","0.1388","","","","","","1.035","","","","has coordinates","269769","2021-10-06","16:12:53",""
"7158244","6.0935","0.0001","9.7182","0.0002","22.0737","0.0005","90","","90.354","0.001","90","","1307.13","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 N5 -","- C17 H11 N5 -","- C68 H44 N20 -","4","1","","Tsyrenova, Biligma D.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","Synthesis of blue light emitting heterocycles <i>via</i> cyclization of 2-pyridine derived 4-azido-r1,2,3-triazoles.","Organic & biomolecular chemistry","2021","19","37","8140","8152","10.1039/d1ob01084k","","","0.71073","MoKα","","0.0685","0.0472","","","0.1213","0.1382","","","","","","1.024","","","","has coordinates,has disorder","269769","2021-10-06","16:12:54",""
"7158245","12.4916","0.0003","14.1803","0.0003","18.3463","0.0005","90","","103.83","0.007","90","","3155.55","0.16","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 I2 O4 -","- C34 H28 I2 O4 -","- C136 H112 I8 O16 -","4","1","","Hoshi, Keita; Yasuda, Masashi; Nakamura, Takumi; Yoshida, Yasushi; Ueta, Shoko; Minagawa, Keiji; Kawamura, Yasuhiko; Imada, Yasushi; Yagishita, Fumitoshi","Unexpected formation of poly-functionalized fulvenes by the reaction of a tetraaryl[5]cumulene with iodine.","Organic & biomolecular chemistry","2021","19","35","7594","7597","10.1039/d1ob01270c","","","1.54187","CuKα","","0.0864","0.0705","","","0.1979","0.2089","","","","","","1.128","","","","has coordinates,has disorder","269789","2021-10-06","16:17:13",""
"7158246","23.5796","0.0015","15.5436","0.001","11.2836","0.0008","90","","102.796","0.007","90","","4032.9","0.5","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 O6 -","- C48 H42 O6 -","- C192 H168 O24 -","4","0.5","","Hoshi, Keita; Yasuda, Masashi; Nakamura, Takumi; Yoshida, Yasushi; Ueta, Shoko; Minagawa, Keiji; Kawamura, Yasuhiko; Imada, Yasushi; Yagishita, Fumitoshi","Unexpected formation of poly-functionalized fulvenes by the reaction of a tetraaryl[5]cumulene with iodine.","Organic & biomolecular chemistry","2021","19","35","7594","7597","10.1039/d1ob01270c","","","1.54187","CuKα","","0.1366","0.1266","","","0.3261","0.3326","","","","","","1.261","","","","has coordinates,has disorder","269789","2021-10-06","16:17:23",""
"7158247","10.913","0.004","7.442","0.003","16.072","0.005","90","","101.62","0.03","90","","1278.5","0.8","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H28 O4 -","- C34 H28 O4 -","- C68 H56 O8 -","2","1","","Hoshi, Keita; Yasuda, Masashi; Nakamura, Takumi; Yoshida, Yasushi; Ueta, Shoko; Minagawa, Keiji; Kawamura, Yasuhiko; Imada, Yasushi; Yagishita, Fumitoshi","Unexpected formation of poly-functionalized fulvenes by the reaction of a tetraaryl[5]cumulene with iodine.","Organic & biomolecular chemistry","2021","19","35","7594","7597","10.1039/d1ob01270c","","","1.54178","CuKα","","0.2178","0.1184","","","0.2748","0.3523","","","","","","0.933","","","","has coordinates","269789","2021-10-06","16:17:28",""
"7158248","10.24137","0.00019","11.9283","0.0002","13.3381","0.0002","113.529","0.008","109.913","0.008","93.193","0.007","1369.46","0.15","104","","104","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H29 I O4 -","- C34 H29 I O4 -","- C68 H58 I2 O8 -","2","1","","Hoshi, Keita; Yasuda, Masashi; Nakamura, Takumi; Yoshida, Yasushi; Ueta, Shoko; Minagawa, Keiji; Kawamura, Yasuhiko; Imada, Yasushi; Yagishita, Fumitoshi","Unexpected formation of poly-functionalized fulvenes by the reaction of a tetraaryl[5]cumulene with iodine.","Organic & biomolecular chemistry","2021","19","35","7594","7597","10.1039/d1ob01270c","","","1.54187","CuKα","","0.0365","0.0357","","","0.0915","0.092","","","","","","1.077","","","","has coordinates","269789","2021-10-06","16:17:37",""
"7158250","10.0469","0.0001","10.3794","0.0002","16.33","0.0003","90","","90","","90","","1702.91","0.05","170","0.1","170","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Li, Wenzhong; Wang, Yu; Qi, Huijing; Shi, Ran; Li, Jiazhu; Chen, Si; Xu, Xin-Ming; Wang, Wei-Li","Diverse privileged <i>N</i>-polycyclic skeletons accessed from a metal-free cascade cyclization reaction.","Organic & biomolecular chemistry","2021","19","37","8086","8095","10.1039/d1ob01206a","","x-ray","0.71073","MoKα","","0.0326","0.0308","","","0.0818","0.0831","","","","","","1.017","","","","has coordinates","269776","2021-10-06","16:14:14",""
"7158251","10.7269","0.0001","10.7269","0.0001","14.5422","0.0003","90","","90","","90","","1673.32","0.04","170","0.1","170","0.1","","","","","","","","5","P 43","P 4cw","78","","","","- C19 H18 Br N O3 -","- C19 H18 Br N O3 -","- C76 H72 Br4 N4 O12 -","4","1","","Li, Wenzhong; Wang, Yu; Qi, Huijing; Shi, Ran; Li, Jiazhu; Chen, Si; Xu, Xin-Ming; Wang, Wei-Li","Diverse privileged <i>N</i>-polycyclic skeletons accessed from a metal-free cascade cyclization reaction.","Organic & biomolecular chemistry","2021","19","37","8086","8095","10.1039/d1ob01206a","","x-ray","0.71073","MoKα","","0.033","0.0279","","","0.056","0.0574","","","","","","1.06","","","","has coordinates","269776","2021-10-06","16:14:14",""
"7158252","10.6034","0.0008","12.769","0.0011","10.619","0.0009","90","","110.867","0.009","90","","1343.5","0.2","297","","297","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 -","- C18 H14 N2 -","- C72 H56 N8 -","4","1","","Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang","Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.","Organic & biomolecular chemistry","2021","19","37","8133","8139","10.1039/d1ob01424b","","x-ray","0.71073","MoKα","","0.1017","0.0611","","","0.1172","0.1372","","","","","","1.061","","","","has coordinates","269770","2021-10-06","16:13:03",""
"7158253","9.8768","0.001","9.9849","0.0014","10.2735","0.0014","106.386","0.012","91.697","0.01","116.134","0.012","858.6","0.2","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H15 Cl N2 -","- C23 H15 Cl N2 -","- C46 H30 Cl2 N4 -","2","1","","Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang","Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.","Organic & biomolecular chemistry","2021","19","37","8133","8139","10.1039/d1ob01424b","","x-ray","0.71073","MoKα","","0.0975","0.0528","","","0.1062","0.1296","","","","","","1.021","","","","has coordinates","269770","2021-10-06","16:13:03",""
"7158254","9.9767","0.0011","10.2","0.0011","10.3359","0.0012","107.613","0.01","91.055","0.009","117.427","0.011","874.2","0.2","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H15 N3 O2 -","- C23 H15 N3 O2 -","- C46 H30 N6 O4 -","2","1","","Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang","Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.","Organic & biomolecular chemistry","2021","19","37","8133","8139","10.1039/d1ob01424b","","x-ray","0.71073","MoKα","","0.1216","0.0626","","","0.1243","0.1541","","","","","","1.017","","","","has coordinates","269770","2021-10-06","16:13:03",""
"7158255","10.052","0.0009","10.4783","0.0011","18.7614","0.0015","90","","93.129","0.008","90","","1973.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Cl N2 -","- C25 H19 Cl N2 -","- C100 H76 Cl4 N8 -","4","1","","Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang","Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.","Organic & biomolecular chemistry","2021","19","37","8133","8139","10.1039/d1ob01424b","","x-ray","0.71073","MoKα","","0.0934","0.056","","","0.1132","0.1327","","","","","","1.035","","","","has coordinates","269770","2021-10-06","16:13:03",""
"7158256","9.9393","0.0011","10.0786","0.0016","10.2828","0.0011","106.688","0.012","91.551","0.009","116.591","0.013","867.6","0.2","297","","297","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C48 H36 N4 -","2","1","","Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang","Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.","Organic & biomolecular chemistry","2021","19","37","8133","8139","10.1039/d1ob01424b","","x-ray","0.71073","MoKα","","0.1015","0.0544","","","0.1159","0.1464","","","","","","1.05","","","","has coordinates","269770","2021-10-06","16:13:03",""
"7158257","13.1197","0.0004","15.7488","0.0005","16.2572","0.0005","103.53","0.0009","99.6156","0.0009","105.348","0.0009","3054.01","0.17","200","","200","","","","101","","","","","5","P -1","-P 1","2","","","","- C59 H71 N O14 S5 -","- C59 H71 N O14 S5 -","- C118 H142 N2 O28 S10 -","2","1","","Landovský, Tomáš; Babor, Martin; Čejka, Jan; Eigner, Václav; Dvořáková, Hana; Krupička, Martin; Lhoták, Pavel","Nucleophile-induced transformation of phenoxathiin-based thiacalixarenes.","Organic & biomolecular chemistry","2021","19","37","8075","8085","10.1039/d1ob01487k","","","1.54178","CuKα","","0.0395","0.038","","0.1041","0.1024","0.1038","","","","","","0.9754","","","","has coordinates,has disorder","269774","2021-10-06","16:13:45",""
"7158258","13.12948","0.00015","14.11541","0.00019","19.1344","0.0002","94.9881","0.001","105.935","0.001","114.83","0.0012","3010.41","0.08","95","","95","","","","101","","","","","5","P -1","-P 1","2","","","","- C55.3 H71.91 N3.3 O16.6 S5 -","- C55.3022 H71.9066 N3.3022 O16.6044 S5 -","- C110.604 H143.813 N6.6044 O33.2088 S10 -","2","1","","Landovský, Tomáš; Babor, Martin; Čejka, Jan; Eigner, Václav; Dvořáková, Hana; Krupička, Martin; Lhoták, Pavel","Nucleophile-induced transformation of phenoxathiin-based thiacalixarenes.","Organic & biomolecular chemistry","2021","19","37","8075","8085","10.1039/d1ob01487k","","","1.54184","CuKα","","0.0299","0.0281","","0.0761","0.0745","0.0761","","","","","","0.9678","","","","has coordinates,has disorder","269774","2021-10-06","16:13:46",""
"7158259","15.2602","0.001","15.3461","0.001","15.8961","0.001","111.084","0.002","108.289","0.002","93.047","0.002","3239.5","0.4","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H78 N4 O20 S5 -","- C58 H78 N4 O20 S5 -","- C116 H156 N8 O40 S10 -","2","1","","Landovský, Tomáš; Babor, Martin; Čejka, Jan; Eigner, Václav; Dvořáková, Hana; Krupička, Martin; Lhoták, Pavel","Nucleophile-induced transformation of phenoxathiin-based thiacalixarenes.","Organic & biomolecular chemistry","2021","19","37","8075","8085","10.1039/d1ob01487k","","","0.71073","MoKα","","0.0499","0.0408","","0.1083","0.1034","0.1083","","","","","","1.0078","","","","has coordinates","269774","2021-10-06","16:13:46",""
"7158260","15.8648","0.0005","13.9916","0.0003","19.6709","0.0006","90","","95.999","0.003","90","","4342.5","0.2","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 O12 S4 -","- C42 H50 O12 S4 -","- C168 H200 O48 S16 -","4","1","","Landovský, Tomáš; Babor, Martin; Čejka, Jan; Eigner, Václav; Dvořáková, Hana; Krupička, Martin; Lhoták, Pavel","Nucleophile-induced transformation of phenoxathiin-based thiacalixarenes.","Organic & biomolecular chemistry","2021","19","37","8075","8085","10.1039/d1ob01487k","","","1.54178","CuKα","","0.0392","0.0345","","0.0942","0.0898","0.0942","","","","","","0.9893","","","","has coordinates,has disorder","269774","2021-10-06","16:13:46",""
"7158261","13.7779","0.0004","14.4703","0.0004","14.6125","0.0004","81.1803","0.0012","76.6391","0.001","63.6398","0.001","2535.42","0.13","180","","180","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H64 O12 S5 -","- C48 H64 O12 S5 -","- C96 H128 O24 S10 -","2","1","","Landovský, Tomáš; Babor, Martin; Čejka, Jan; Eigner, Václav; Dvořáková, Hana; Krupička, Martin; Lhoták, Pavel","Nucleophile-induced transformation of phenoxathiin-based thiacalixarenes.","Organic & biomolecular chemistry","2021","19","37","8075","8085","10.1039/d1ob01487k","","","1.54178","CuKα","","0.0604","0.0523","","0.1406","0.1332","0.1406","","","","","","0.9935","","","","has coordinates,has disorder","269774","2021-10-06","16:13:46",""
"7158262","36.302","0.008","17.985","0.004","8.873","0.002","90","","90","","90","","5793","2","293","2","293.06","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C33 H32 O -","- C33 H32 O -","- C264 H256 O8 -","8","1","","Feng, Yi-Man; Nie, Xiao-Di; Sun, Jian-Ting; Xu, Wen-Ke; Wei, Bang-Guo","TMSOTf-mediated synthesis of skipped dienes through the addition of olefins to imines and semicyclic <i>N</i>,<i>O</i>-acetals.","Organic & biomolecular chemistry","2021","19","36","7883","7893","10.1039/d1ob01370j","","","0.71073","MoKα","","0.1704","0.0989","","","0.2551","0.3205","","","","","","0.995","","","","has coordinates,has disorder","269779","2021-10-06","16:15:30",""
"7158263","18.4643","0.0012","8.6875","0.0006","32.046","0.002","90","","90","","90","","5140.5","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C35 H27 F -","- C35 H27 F -","- C280 H216 F8 -","8","1","","Feng, Yi-Man; Nie, Xiao-Di; Sun, Jian-Ting; Xu, Wen-Ke; Wei, Bang-Guo","TMSOTf-mediated synthesis of skipped dienes through the addition of olefins to imines and semicyclic <i>N</i>,<i>O</i>-acetals.","Organic & biomolecular chemistry","2021","19","36","7883","7893","10.1039/d1ob01370j","","","0.71073","MoKα","","0.1079","0.0524","","","0.1","0.1268","","","","","","1.078","","","","has coordinates,has disorder","269779","2021-10-06","16:15:31",""
"7158264","4.5418","0.0003","10.9707","0.0007","11.8989","0.0006","109.638","0.004","92.037","0.004","101.081","0.005","544.76","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 Br N O3 -","- C9 H14 Br N O3 -","- C18 H28 Br2 N2 O6 -","2","1","","Chen, Xiao Yun; Yuan, Shuxia; Chen, Yan; Sun, Chenyang; Tang, Yaonan; Chen, Guang; Zhu, Baocheng; Chen, Kaiwei; Zheng, Shaojun; Cheng, Xiaofang","Solvent-controlled two-step one-pot syntheses of α-X (X = Br or Cl) enamino ketones/esters and 3-(2,5-dioxopyrrolidin-1-yl)acrylate by using terminal carbonyl alkynes.","Organic & biomolecular chemistry","2021","19","36","7914","7919","10.1039/d1ob01308d","","","0.71073","MoKα","","0.0451","0.0355","","","0.0907","0.0953","","","","","","1.038","","","","has coordinates","269778","2021-10-06","16:15:18",""
"7158265","8.8556","0.0003","6.92143","0.00019","9.428","0.0003","90","","111.887","0.004","90","","536.22","0.03","99.9","0.2","99.9","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","","Ma, Haowen; Feng, Jiajie; Zhou, Wei; Chen, Chen; Deng, Zhuoji; Zhou, Fengtao; Ouyang, Yifan; Zhang, Xinhao; Cai, Qian","Copper(i)-catalyzed asymmetric intramolecular C-arylation with ureas as the additives: highly enantioselective formation of spirooxindoles","Organic & Biomolecular Chemistry","2021","19","34","7480","7484","10.1039/D1OB01327K","","x-ray","1.54184","CuKα","","0.0404","0.0399","","","0.1079","0.1086","","","","","","1.054","","","","has coordinates","268952","2021-09-06","12:33:37",""
"7158266","6.94293","0.00012","9.02763","0.00016","18.0531","0.0003","90","","90","","90","","1131.54","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","","Ma, Haowen; Feng, Jiajie; Zhou, Wei; Chen, Chen; Deng, Zhuoji; Zhou, Fengtao; Ouyang, Yifan; Zhang, Xinhao; Cai, Qian","Copper(i)-catalyzed asymmetric intramolecular C-arylation with ureas as the additives: highly enantioselective formation of spirooxindoles","Organic & Biomolecular Chemistry","2021","19","34","7480","7484","10.1039/D1OB01327K","","x-ray","1.54184","CuKα","","0.0315","0.0311","","","0.0822","0.0824","","","","","","1.05","","","","has coordinates","268952","2021-09-06","12:33:38",""
"7158267","6.956","0.0002","8.4636","0.0003","19.6496","0.0006","90","","90","","90","","1156.83","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Ma, Haowen; Feng, Jiajie; Zhou, Wei; Chen, Chen; Deng, Zhuoji; Zhou, Fengtao; Ouyang, Yifan; Zhang, Xinhao; Cai, Qian","Copper(i)-catalyzed asymmetric intramolecular C-arylation with ureas as the additives: highly enantioselective formation of spirooxindoles","Organic & Biomolecular Chemistry","2021","19","34","7480","7484","10.1039/D1OB01327K","","x-ray","1.54184","CuKα","","0.0374","0.0366","","","0.0984","0.0993","","","","","","1.055","","","","has coordinates","268952","2021-09-06","12:33:38",""
"7158268","6.8325","0.0003","15.642","0.0008","8.9374","0.0005","90","","92.861","0.005","90","","953.98","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H18 N2 O S -","- C24 H18 N2 O S -","- C48 H36 N4 O2 S2 -","2","1","","Li, Chen-Yi; Xiang, Min; Zhang, Jian; Li, Wen-Sheng; Zou, Ying; Tian, Fang; Wang, Li-Xin","Organocatalytic enantioselective aza-Friedel-Crafts reaction between benzothiazolimines and 2-naphthols for the preparation of chiral 2'-aminobenzothiazolomethyl naphthols.","Organic & biomolecular chemistry","2021","19","35","7690","7694","10.1039/d1ob01443a","","x-ray","1.54184","CuKα","","0.0676","0.0566","","","0.1347","0.1433","","","","","","1.048","","","","has coordinates","269788","2021-10-06","16:16:55",""
"7158269","7.5321","0.0003","8.0983","0.0003","9.2836","0.0004","71.4315","0.0018","73.3773","0.0017","66.8118","0.0019","484.97","0.03","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H14 N4 -","- C10 H14 N4 -","- C20 H28 N8 -","2","1","","Al Isawi, Wisam A.; Salome, Austin Z.; Ahmed, Basil M.; Zeller, Matthias; Mezei, Gellert","Selective binding of anions by rigidified nanojars: sulfate <i>vs.</i> carbonate.","Organic & biomolecular chemistry","2021","19","35","7641","7654","10.1039/d1ob01318a","","","1.54178","CuKα","","0.0492","0.0459","","","0.1321","0.1352","","","","","","1.126","","","","has coordinates","269787","2021-10-06","16:16:49",""
"7158270","16.5743","0.0011","4.646","0.0003","12.7547","0.0009","90","","97.57","0.003","90","","973.61","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N4 O2 -","- C20 H30 N4 O2 -","- C40 H60 N8 O4 -","2","0.5","","Al Isawi, Wisam A.; Salome, Austin Z.; Ahmed, Basil M.; Zeller, Matthias; Mezei, Gellert","Selective binding of anions by rigidified nanojars: sulfate <i>vs.</i> carbonate.","Organic & biomolecular chemistry","2021","19","35","7641","7654","10.1039/d1ob01318a","","","0.71073","MoKα","","0.0699","0.0455","","","0.1177","0.1316","","","","","","1.034","","","","has coordinates,has disorder","269787","2021-10-06","16:16:49",""
"7158271","8.297","0.0003","9.2575","0.0003","15.0135","0.0005","87.5026","0.0018","80.0574","0.0019","64.7954","0.0017","1027.14","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H32 N4 O2 -","- C21 H32 N4 O2 -","- C42 H64 N8 O4 -","2","1","","Al Isawi, Wisam A.; Salome, Austin Z.; Ahmed, Basil M.; Zeller, Matthias; Mezei, Gellert","Selective binding of anions by rigidified nanojars: sulfate <i>vs.</i> carbonate.","Organic & biomolecular chemistry","2021","19","35","7641","7654","10.1039/d1ob01318a","","","0.71073","MoKα","","0.1287","0.0491","","","0.1221","0.1428","","","","","","1.035","","","","has coordinates","269787","2021-10-06","16:16:49",""
"7158272","8.7553","0.0002","6.4721","0.0003","28.2921","0.001","90","","97.357","0.003","90","","1589.98","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl F3 O2 S2 -","- C15 H12 Cl F3 O2 S2 -","- C60 H48 Cl4 F12 O8 S8 -","4","1","","Li, Jiuling; Li, Bin; Chen, Juan; Jia, Xinyu; Wang, Min; Hao, Chengjun; Zheng, Xinhua; Dai, Hongmei; Hu, Wenhao","Catalyst-free <i>gem</i>-chlorosulfurization of difluoromethyl-substituted diazo compounds with disulfide and PhICl<sub>2</sub>.","Organic & biomolecular chemistry","2021","19","37","8030","8034","10.1039/d1ob01422f","","x-ray","1.54184","CuKα","","0.0774","0.0565","","","0.1334","0.1449","","","","","","1.052","","","","has coordinates,has disorder","269771","2021-10-06","16:13:09",""
"7158273","7.7741","0.0004","11.2133","0.0006","13.2379","0.0007","71.466","0.001","74.538","0.001","81.457","0.001","1051.97","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(E)-2-(1-(4-Bromophenyl)-3-methoxy-3-oxoprop-1-en-2-yl)-1H-indole-3-carboxylic acid","","- C22 H20 Br N O5 -","- C22 H20 Br N O5 -","- C44 H40 Br2 N2 O10 -","2","1","","Ramos-Orea, Aldahir; Ramírez-Apan, Teresa; Chávez-Santos, Rosa María; Aguayo-Ortiz, Rodrigo; Espitia, Clara; Silva Miranda, Mayra; Torres-Ochoa, Rubén O; Martínez, Roberto","Total syntheses and antiproliferative activities of prenostodione and its analogues.","Organic & biomolecular chemistry","2021","19","38","8272","8280","10.1039/d1ob00897h","","","0.71073","MoKα","","0.1013","0.0478","","","0.0897","0.1067","","","","","","1.011","","","","has coordinates","270513","2021-11-06","20:43:53",""
"7158274","6.2592","0.0003","14.9217","0.0007","13.9603","0.0005","90","","95.929","0.002","90","","1296.89","0.1","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 F2 N2 O3 -","- C12 H10 F2 N2 O3 -","- C48 H40 F8 N8 O12 -","4","1","","Wang, Qian; Gong, Haiying; Zhang, Yifang; Peng, Yi; Chen, Hua; Li, Mingjie; Deng, Hongmei; Hao, Jian; Wan, Wen","Visible-light mediated stereospecific C(sp<sup>2</sup>)-H difluoroalkylation of (<i>Z</i>)-aldoximes.","Organic & biomolecular chemistry","2021","19","36","7867","7874","10.1039/d1ob01401c","","","0.71073","MoKα","","0.0963","0.0577","","","0.1573","0.1911","","","","","","1.041","","","","has coordinates","269780","2021-10-06","16:15:43",""
"7158275","7.2273","0.0005","10.1947","0.0006","10.5388","0.0007","90.94","0.002","96.739","0.002","101.524","0.002","754.96","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Peyonine","1-(3,4,5-trimethoxyphenethyl)-1H-pyrrole-2-carboxylic acid","","- C32 H38 N2 O10 -","- C32 H38 N2 O10 -","- C32 H38 N2 O10 -","1","0.5","","Rao, Maddali L. N.; Islam, Sk Shamim; Dasgupta, Priyabrata","Copper-catalyzed domino synthesis of ynamines.","Organic & biomolecular chemistry","2021","19","36","7855","7860","10.1039/d1ob01383a","","","0.71073","MoKα","","0.0698","0.0446","","","0.0973","0.1069","","","","","","1.032","","","","has coordinates","269781","2021-10-06","16:15:49",""
"7158276","27.3068","0.0011","7.9003","0.0003","18.7137","0.0008","90","","108.028","0.001","90","","3838.9","0.3","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Cl N2 O4 -","- C21 H17 Cl N2 O4 -","- C168 H136 Cl8 N16 O32 -","8","1","","Ramaraju, Andhavaram; Upare, Atul; Blanch, Ewan W.; Maniam, Subashani; Sridhar, Balasubramanian; Bathula, Surendar Reddy; Raji Reddy, Chada","Chemoselective [3 + 2] annulation of oxime acetate with 2-aryl-3-ethoxycarbonyl-pyrroline-4,5-dione: an entry to pyrrolo[2,3-<i>b</i>]pyrrole derivatives.","Organic & biomolecular chemistry","2021","19","36","7875","7882","10.1039/d1ob00990g","","","0.71073","MoKα","","0.089","0.0808","","","0.2084","0.2161","","","","","","1.102","","","","has coordinates,has disorder","269783","2021-10-06","16:16:03",""
"7158277","19.2136","0.0002","10.6907","0.0001","8.1348","0.0001","90","","98.4","0.001","90","","1653.02","0.03","110","15","110","15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Liao, Shengrong; Xu, Huayan; Yang, Bin; Wang, Junfeng; Zhou, Xuefeng; Lin, Xiuping; Liu, Yonghong","Gold-catalyzed oxidation of terminal alkynes to glyoxals and their reactions with 2-phenylimidazo[1,2-<i>a</i>]pyridines: one-pot synthesis of 1,2-diones.","Organic & biomolecular chemistry","2021","19","40","8735","8739","10.1039/d1ob01507a","","x-ray","1.54184","CuKα","","0.0421","0.0392","","","0.1096","0.1121","","","","","","1.068","","","","has coordinates","270508","2021-11-06","20:42:44",""
"7158278","25.3513","0.0005","13.438","0.0007","9.4134","0.0012","90","","90","","90","","3206.9","0.4","250","2","250","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C152 H152 N8 O16 -","8","2","","Solea, Atena B.; Wang, Sining; Xue, Xiao-Song; Crochet, Aurelien; Fromm, Katharina M.; Houk, Kendall N.; Mamula, Olimpia; Allemann, Christophe","Efficient synthesis of isoindolones by intramolecular cyclisation of pyridinylbenzoic acids.","Organic & biomolecular chemistry","2021","19","37","8025","8029","10.1039/d1ob01343b","","x-ray","0.71073","MoKα","","0.1163","0.072","","","0.1638","0.2001","","","","","","1.026","","","","has coordinates,has disorder","269773","2021-10-06","16:13:29",""
"7158279","13.0488","0.0006","7.7427","0.0005","10.6551","0.0005","90","","90","","90","","1076.52","0.1","250","2","250","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","","Solea, Atena B.; Wang, Sining; Xue, Xiao-Song; Crochet, Aurelien; Fromm, Katharina M.; Houk, Kendall N.; Mamula, Olimpia; Allemann, Christophe","Efficient synthesis of isoindolones by intramolecular cyclisation of pyridinylbenzoic acids.","Organic & biomolecular chemistry","2021","19","37","8025","8029","10.1039/d1ob01343b","","x-ray","0.71073","MoKα","","0.043","0.0295","","","0.0685","0.0732","","","","","","1.032","","","","has coordinates","269773","2021-10-06","16:13:29",""
"7158280","7.0872","0.0008","12.3506","0.0016","16.599","0.002","90","","90","","90","","1452.9","0.3","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Solea, Atena B.; Wang, Sining; Xue, Xiao-Song; Crochet, Aurelien; Fromm, Katharina M.; Houk, Kendall N.; Mamula, Olimpia; Allemann, Christophe","Efficient synthesis of isoindolones by intramolecular cyclisation of pyridinylbenzoic acids.","Organic & biomolecular chemistry","2021","19","37","8025","8029","10.1039/d1ob01343b","","x-ray","0.71073","MoKα","","0.1384","0.0471","","","0.0857","0.114","","","","","","0.964","","","","has coordinates","269773","2021-10-06","16:13:29",""
"7158281","4.787","0.007","13.87","0.02","21.66","0.02","72.77","0.05","90","","90","","1374","3","273.15","","273.15","","","","","","","","","3","P -1","-P 1","2","","GSCBS5_265","","- C34 H36 O2 -","- C34 H36 O2 -","- C68 H72 O4 -","2","1","","Chinnabattigalla, Sreenivasulu; Choudhury, Aditya; Gedu, Satyanarayana","[Pd]-Catalyzed <i>para</i>-selective allylation of phenols: access to 4-[(<i>E</i>)-3-aryl/alkylprop-2-enyl]phenols.","Organic & biomolecular chemistry","2021","19","38","8259","8263","10.1039/d1ob01489g","","","0.71073","MoKα","","0.5151","0.1342","","","0.2736","0.5038","","","","","","0.838","","","","has coordinates","270514","2021-11-06","20:44:00",""
"7158282","8.4709","0.0003","9.983","0.0003","11.1522","0.0004","72.48","0.001","75.864","0.001","69.734","0.001","833.28","0.05","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Chinnabattigalla, Sreenivasulu; Choudhury, Aditya; Gedu, Satyanarayana","[Pd]-Catalyzed <i>para</i>-selective allylation of phenols: access to 4-[(<i>E</i>)-3-aryl/alkylprop-2-enyl]phenols.","Organic & biomolecular chemistry","2021","19","38","8259","8263","10.1039/d1ob01489g","","","0.71073","MoKα","","0.0734","0.0454","","","0.1116","0.1253","","","","","","1.039","","","","has coordinates","270514","2021-11-06","20:44:01",""
"7158283","8.2775","0.0007","5.2464","0.0005","17.4065","0.0011","90","","92.906","0.007","90","","754.94","0.11","293","2","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 Br O -","- C17 H17 Br O -","- C34 H34 Br2 O2 -","2","1","","Chinnabattigalla, Sreenivasulu; Choudhury, Aditya; Gedu, Satyanarayana","[Pd]-Catalyzed <i>para</i>-selective allylation of phenols: access to 4-[(<i>E</i>)-3-aryl/alkylprop-2-enyl]phenols.","Organic & biomolecular chemistry","2021","19","38","8259","8263","10.1039/d1ob01489g","","","0.71073","MoKα","","0.122","0.0554","","","0.1538","0.2172","","","","","","0.977","","","","has coordinates","270514","2021-11-06","20:44:01",""
"7158284","10.3698","0.0004","12.1098","0.0005","29.2861","0.0012","90","","92.224","0.002","90","","3674.9","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 F3 O2 -","- C21 H17 F3 O2 -","- C168 H136 F24 O16 -","8","2","","Priyanka, Chiliveru; Subbarao, Muppidi; Punna, Nagender","Palladium-catalyzed <i>ortho</i>-vinylation of β-naphthols with α-trifluoromethyl allyl carbonates: one-pot access to naphtho[2,1-<i>b</i>]furans.","Organic & biomolecular chemistry","2021","19","38","8241","8245","10.1039/d1ob01429c","","","0.71073","MoKα","","0.1083","0.0671","","","0.181","0.2111","","","","","","1.04","","","","has coordinates","270515","2021-11-06","20:44:07",""
"7158285","7.0134","0.0004","7.0858","0.0005","15.5319","0.001","96.28","0.004","90.168","0.004","104.398","0.004","742.77","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C H Cl N O S -","- C4.75 H2.75 N0.25 O0.5 S0.25 -","- C38 H22 N2 O4 S2 -","8","4","","Singh, Rashmi; Sharma, Vishal Prasad; Yadav, Priyanka; Sonker, Priyanka; Singh, Radhey Mohan; Tewari, Ashish Kumar","Sodium sulphide promoted synthesis of fused quinoline at room temperature.","Organic & biomolecular chemistry","2021","19","37","8108","8112","10.1039/d1ob01085a","","","0.71073","MoKα","","0.0806","0.0552","","","0.1578","0.1838","","","","","","0.837","","","","has coordinates","269775","2021-10-06","16:13:56",""
"7158286","29.725","0.002","29.725","0.002","7.0358","0.0008","90","","90","","90","","6216.7","0.9","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C304 H224 N32 O32 -","16","1","","Singh, Rashmi; Sharma, Vishal Prasad; Yadav, Priyanka; Sonker, Priyanka; Singh, Radhey Mohan; Tewari, Ashish Kumar","Sodium sulphide promoted synthesis of fused quinoline at room temperature.","Organic & biomolecular chemistry","2021","19","37","8108","8112","10.1039/d1ob01085a","","","0.71073","MoKα","","0.1242","0.0587","","","0.1524","0.1871","","","","","","0.942","","","","has coordinates","269775","2021-10-06","16:14:05",""
"7158287","6.59045","0.00005","19.69096","0.00012","23.49012","0.00017","90","","90","","90","","3048.37","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H23 Br O6 -","- C35 H23 Br O6 -","- C140 H92 Br4 O24 -","4","2","","Yan, Juzhang; Zheng, Xiurong; Zheng, Yangqing; Zhan, Ruoting; Huang, Huicai","Asymmetric Michael reaction of 3-homoacyl coumarins with chromone-fused dienes toward enantioenriched coumarin chromone skeletons.","Organic & biomolecular chemistry","2021","19","37","8102","8107","10.1039/d1ob01200b","","x-ray","1.54184","CuKα","","0.0467","0.0453","","","0.1279","0.1293","","","","","","1.045","","","","has coordinates","269777","2021-10-06","16:14:21",""
"7158288","8.1289","0.0007","10.9783","0.0011","17.3875","0.0016","82.153","0.003","79.194","0.003","71.829","0.003","1443.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N4 O -","- C17 H16 N4 O -","- C68 H64 N16 O4 -","4","2","","Honnanayakanavar, Jyoti M.; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper catalyzed regioselective <i>N</i>-arylation-amidation: synthesis of angularly fused dihydroimidazoquinazolinones and the anticancer agent TIC10/ONC201.","Organic & biomolecular chemistry","2021","19","39","8497","8501","10.1039/d1ob01561c","","","0.71073","MoKα","","0.0623","0.0452","","","0.1072","0.1179","","","","","","1.035","","","","has coordinates","270501","2021-11-06","20:41:42",""
"7158289","8.275","0.006","9.736","0.009","16.38","0.015","90","","90","","90","","1320","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-(pyridin-4-ylmethyl)-2,4-dihydroimidazol[1,2-a]quinazolin-5(1H)-one","","","- C16 H14 N4 O -","- C16 H14 N4 O -","- C64 H56 N16 O4 -","4","1","","Honnanayakanavar, Jyoti M.; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper catalyzed regioselective <i>N</i>-arylation-amidation: synthesis of angularly fused dihydroimidazoquinazolinones and the anticancer agent TIC10/ONC201.","Organic & biomolecular chemistry","2021","19","39","8497","8501","10.1039/d1ob01561c","","","0.71073","MoKα","","0.0378","0.0338","","","0.0897","0.0931","","","","","","1.077","","","","has coordinates","270501","2021-11-06","20:41:43",""
"7158290","7.6364","0.0012","24.214","0.004","8.2875","0.0013","90","","108.818","0.007","90","","1450.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(2-methylbenzyl)-2,4-dihydroimidazol[1,2-a]quinazolin-5(1H)-one","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Honnanayakanavar, Jyoti M.; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper catalyzed regioselective <i>N</i>-arylation-amidation: synthesis of angularly fused dihydroimidazoquinazolinones and the anticancer agent TIC10/ONC201.","Organic & biomolecular chemistry","2021","19","39","8497","8501","10.1039/d1ob01561c","","","0.71073","MoKα","","0.113","0.0549","","","0.1033","0.1229","","","","","","1.034","","","","has coordinates","270501","2021-11-06","20:41:43",""
"7158291","7.061","0.003","16.611","0.008","19.595","0.009","65.759","0.01","87.399","0.011","80.205","0.01","2064.3","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C102 H90 N18 O6 -","6","3","","Honnanayakanavar, Jyoti M.; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper catalyzed regioselective <i>N</i>-arylation-amidation: synthesis of angularly fused dihydroimidazoquinazolinones and the anticancer agent TIC10/ONC201.","Organic & biomolecular chemistry","2021","19","39","8497","8501","10.1039/d1ob01561c","","","0.71073","MoKα","","0.0865","0.051","","","0.1176","0.1402","","","","","","1.037","","","","has coordinates","270501","2021-11-06","20:41:43",""
"7158292","8.7091","0.0006","24.6511","0.0016","9.7352","0.0007","90","","94.492","0.003","90","","2083.6","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N6 O9 -","- C16 H26 N6 O9 -","- C64 H104 N24 O36 -","4","1","","Lohrman, Jessica; Pramanik, Subhamay; Kaur, Sandeep; Telikepalli, Hanumaiah; Day, Victor W.; Bowman-James, Kristin","Hydrophilic and hydrophobic carboxamide pincers as anion hosts.","Organic & biomolecular chemistry","2021","19","39","8516","8520","10.1039/d1ob01605a","","","1.54178","CuKα","","0.0561","0.0511","","","0.1429","0.148","","","","","","1.024","","","","has coordinates","270506","2021-11-06","20:42:14",""
"7158293","44.553","0.004","4.9317","0.0004","15.7652","0.0015","90","","90.399","0.006","90","","3463.9","0.5","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H56 N6 O4 -","- C32 H56 N6 O4 -","- C128 H224 N24 O16 -","4","0.5","","Lohrman, Jessica; Pramanik, Subhamay; Kaur, Sandeep; Telikepalli, Hanumaiah; Day, Victor W.; Bowman-James, Kristin","Hydrophilic and hydrophobic carboxamide pincers as anion hosts.","Organic & biomolecular chemistry","2021","19","39","8516","8520","10.1039/d1ob01605a","","","1.54178","CuKα","","0.1406","0.1242","","","0.2927","0.3011","","","","","","1.122","","","","has coordinates","270506","2021-11-06","20:42:15",""
"7158294","11.0587","0.0019","14.955","0.003","8.8548","0.0015","90","","101.133","0.002","90","","1436.9","0.5","228","2","228","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 N6 O12 -","- C24 H40 N6 O12 -","- C48 H80 N12 O24 -","2","0.5","","Lohrman, Jessica; Pramanik, Subhamay; Kaur, Sandeep; Telikepalli, Hanumaiah; Day, Victor W.; Bowman-James, Kristin","Hydrophilic and hydrophobic carboxamide pincers as anion hosts.","Organic & biomolecular chemistry","2021","19","39","8516","8520","10.1039/d1ob01605a","","","0.71073","MoKα","","0.1009","0.0512","","","0.1084","0.1334","","","","","","1.025","","","","has coordinates","270506","2021-11-06","20:42:15",""
"7158295","10.9301","0.0007","12.0124","0.0011","16.8138","0.0012","69.946","0.008","72.758","0.006","64.698","0.008","1845.4","0.3","140.15","","140.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 N3 O -","- C20 H27 N3 O -","- C80 H108 N12 O4 -","4","2","","Bormann, Carl Thomas; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis of bicyclic vinyl triazenes by Ficini-type reactions.","Organic & biomolecular chemistry","2021","19","37","8113","8117","10.1039/d1ob01546j","","x-ray","1.54184","CuKα","","0.0883","0.081","","","0.245","0.2503","","","","","","1.048","","","","has coordinates","269772","2021-10-06","16:13:16",""
"7158296","7.80574","0.00008","34.1537","0.0003","9.6271","0.00009","90","","95.7493","0.0009","90","","2553.63","0.04","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 N4 O3 S -","- C26 H36 N4 O3 S -","- C104 H144 N16 O12 S4 -","4","1","","Bormann, Carl Thomas; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis of bicyclic vinyl triazenes by Ficini-type reactions.","Organic & biomolecular chemistry","2021","19","37","8113","8117","10.1039/d1ob01546j","","x-ray","1.54184","CuKα","","0.033","0.031","","","0.0799","0.0816","","","","","","1.022","","","","has coordinates","269772","2021-10-06","16:13:16",""
"7158297","9.3141","0.0001","7.60332","0.0001","20.7811","0.0002","90","0.0009","93.9407","0.0009","90","0.001","1468.2","0.03","297.4","0.3","297.4","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","1","","Bandyopadhyay, Debashruti; Thirupathi, Annaram; Radhakrishnan, Divya; Panigrahi, Adyasha; Peruncheralathan, S.","Triflic acid-mediated N-heteroannulation of β-anilino-β-(methylthio)acrylonitriles: a facile synthesis of 4-amino-2-(methylthio)quinolines.","Organic & biomolecular chemistry","2021","19","39","8544","8553","10.1039/d1ob01151k","","x-ray","1.54184","CuKα","","0.0434","0.0414","","","0.1172","0.1186","","","","","","1.038","","","","has coordinates","270505","2021-11-06","20:42:07",""
"7158298","11.069","0.002","19.863","0.004","14.418","0.003","90","","93.29","0.03","90","","3164.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,9-bis-(4-nitrophenyl)urea-9(10H)-acridinone","1,9-bis-(4-nitrophenyl)urea-9(10H)-acridinone","","- C31 H31 N7 O9 S2 -","- C31 H31 N7 O9 S2 -","- C124 H124 N28 O36 S8 -","4","1","","McNaughton, Daniel A.; Macreadie, Lauren K.; Gale, Philip A.","Acridinone-based anion transporters.","Organic & biomolecular chemistry","2021","19","44","9659","9674","10.1039/d1ob01545a","","","0.71073","synchrotron","","0.1187","0.1079","","","0.3095","0.3192","","","","","","1.034","","","","has coordinates,has disorder","271208","2021-12-07","03:50:10",""
"7158299","6.062","0.002","12.279","0.005","13.666","0.005","75.605","0.008","86.331","0.008","89.054","0.009","983.3","0.6","296","2","296","2","","","","","","","","5","P 1","P 1","1","","(5S,10R)-8-(4-Bromophenyl)-6-imino-4-methyl-1-oxo-10-phenyl-2-oxa-3-azaspiro[4.5]de ca-3,7-diene-7-carbonitrile","","- C22 H16 Br N3 O2 -","- C22 H16 Br N3 O2 -","- C44 H32 Br2 N6 O4 -","2","2","","Wang, Yu; Niu, Cheng; Xie, Dong-Hua; Du, Da-Ming","A bifunctional squaramide-catalysed enantioselective vinylogous Michael addition/cyclization cascade reaction of 4-unsaturated isoxazol-5-ones and α,α-dicyanoalkenes.","Organic & biomolecular chemistry","2021","19","39","8572","8577","10.1039/d1ob01256h","","","0.71073","MoKα","","0.1278","0.0433","","","0.0777","0.0977","","","","","","0.901","","","","has coordinates","270504","2021-11-06","20:42:00",""
"7158300","7.0824","0.0005","9.9984","0.0008","11.3089","0.0009","113.621","0.008","101.541","0.007","100.342","0.007","688.15","0.11","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C29 H24 Br F3 N2 O5 -","- C29 H24 Br F3 N2 O5 -","- C29 H24 Br F3 N2 O5 -","1","1","","Wang, Rui-Li; Jia, Shi-Kun; Guo, Ya-Jun; Yi, Yang; Hua, Yuan-Zhao; Lu, Hui-Jie; Wang, Min-Can","Dinuclear zinc-catalyzed enantioselective formal [3 + 2] cycloaddition of <i>N</i>-2,2,2-trifluoroethylisatin ketimines with low reactivity aurone derivatives.","Organic & biomolecular chemistry","2021","19","39","8492","8496","10.1039/d1ob01599k","","","1.54184","CuKα","","0.0595","0.0487","","","0.1188","0.1303","","","","","","1.028","","","","has coordinates","270502","2021-11-06","20:41:48",""
"7158301","10.0685","0.0003","10.1743","0.0003","20.3368","0.0006","90","","90","","90","","2083.3","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","1","","Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.","Organic & biomolecular chemistry","2021","19","41","8955","8967","10.1039/d1ob01387d","","x-ray","0.71073","MoKα","","0.076","0.0523","","","0.1299","0.1456","","","","","","1.029","","","","has coordinates","270493","2021-11-06","20:40:32",""
"7158302","10.1003","0.0003","10.1984","0.0003","20.2551","0.0005","90","","90","","90","","2086.42","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","1","","Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.","Organic & biomolecular chemistry","2021","19","41","8955","8967","10.1039/d1ob01387d","","x-ray","0.71073","MoKα","","0.0834","0.0625","","","0.1803","0.1969","","","","","","1.067","","","","has coordinates","270493","2021-11-06","20:40:33",""
"7158303","10.1047","0.0002","10.1997","0.0003","20.2588","0.0005","90","","90","","90","","2087.97","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","1","","Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.","Organic & biomolecular chemistry","2021","19","41","8955","8967","10.1039/d1ob01387d","","x-ray","0.71073","MoKα","","0.0837","0.0604","","","0.1758","0.1937","","","","","","1.079","","","","has coordinates","270493","2021-11-06","20:40:33",""
"7158304","10.0659","0.0002","10.174","0.0003","20.3251","0.0005","90","","90","","90","","2081.5","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","1","","Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.","Organic & biomolecular chemistry","2021","19","41","8955","8967","10.1039/d1ob01387d","","x-ray","0.71073","MoKα","","0.072","0.0506","","","0.1279","0.1412","","","","","","1.059","","","","has coordinates","270493","2021-11-06","20:40:33",""
"7158305","9.8031","0.0005","12.4858","0.0006","14.4741","0.0008","90","","100.794","0.002","90","","1740.28","0.16","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O S2 -","- C20 H20 O S2 -","- C80 H80 O4 S8 -","4","1","","Zhang, Shan-Shan; Xue, Jiahui; Gu, Qing; Jiang, Xuefeng; You, Shu-Li","Dearomatization reaction of β-naphthols with disulfurating reagents.","Organic & biomolecular chemistry","2021","19","40","8761","8771","10.1039/d1ob01731d","","","1.34139","GaKα","","0.042","0.0407","","","0.1097","0.1107","","","","","","1.053","","","","has coordinates","270512","2021-11-06","20:43:17",""
"7158306","9.8601","0.0003","11.9035","0.0003","15.2689","0.0004","90","","101.418","0.001","90","","1756.64","0.08","173","2","173.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O S2 -","- C20 H19 N O S2 -","- C80 H76 N4 O4 S8 -","4","1","","Zhang, Shan-Shan; Xue, Jiahui; Gu, Qing; Jiang, Xuefeng; You, Shu-Li","Dearomatization reaction of β-naphthols with disulfurating reagents.","Organic & biomolecular chemistry","2021","19","40","8761","8771","10.1039/d1ob01731d","","","1.34139","GaKα","","0.0356","0.0343","","","0.0925","0.0937","","","","","","1.095","","","","has coordinates","270512","2021-11-06","20:43:18",""
"7158307","8.4201","0.0012","11.3961","0.0014","33.642","0.003","90","","95.484","0.01","90","","3213.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 Cl N2 O5 S2 -","- C36 H29 Cl N2 O5 S2 -","- C144 H116 Cl4 N8 O20 S8 -","4","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","0.71073","MoKα","","0.2175","0.0829","","","0.12","0.1726","","","","","","0.8","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158308","10.3934","0.0001","18.0084","0.0003","17.5835","0.0003","90","","97.424","0.001","90","","3263.49","0.08","179.98","0.1","179.98","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl N2 O5 S2 -","- C36 H29 Cl N2 O5 S2 -","- C144 H116 Cl4 N8 O20 S8 -","4","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.0559","0.0475","","","0.1306","0.1393","","","","","","1.058","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158309","23.2429","0.0006","9.7717","0.0002","28.6043","0.0007","90","","94.72","0.002","90","","6474.7","0.3","293","2","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","221","","- C36 H31 Cl N2 O5 S2 -","- C36 H31 Cl N2 O5 S2 -","- C288 H248 Cl8 N16 O40 S16 -","8","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.075","0.0538","","","0.136","0.1648","","","","","","1.085","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158310","9.0939","0.0016","30.322","0.004","11.9757","0.0013","90","","92.92","0.013","90","","3298","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Cl N2 O5 S2 -","- C36 H29 Cl N2 O5 S2 -","- C144 H116 Cl4 N8 O20 S8 -","4","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","0.71073","MoKα","","0.1548","0.0652","","","0.1238","0.1634","","","","","","0.983","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158311","10.8359","0.0002","11.1243","0.0003","17.4373","0.0004","86.651","0.002","78.773","0.002","67.019","0.002","1897.71","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H29 Cl N2 O7 S2 -","- C36 H29 Cl N2 O7 S2 -","- C72 H58 Cl2 N4 O14 S4 -","2","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.0851","0.0796","","","0.2302","0.2366","","","","","","1.048","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158312","28.3232","0.0011","11.8905","0.0003","26.1613","0.001","90","","114.144","0.004","90","","8039.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H29 Cl N2 O7 S2 -","- C36 H29 Cl N2 O7 S2 -","- C288 H232 Cl8 N16 O56 S16 -","8","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.0861","0.0623","","","0.1783","0.1957","","","","","","1.108","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158313","21.0158","0.0008","10.2669","0.0003","18.2254","0.0006","90","","108.556","0.004","90","","3728","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Cl N2 O5 S2 -","- C36 H29 Cl N2 O5 S2 -","- C144 H116 Cl4 N8 O20 S8 -","4","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.083","0.0609","","","0.1652","0.1793","","","","","","1.045","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158314","18.8089","0.0013","17.8043","0.0012","21.9597","0.0015","90","","90","","90","","7353.8","0.9","220","","220","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C43 H34 N4 O -","- C43 H32 N4 O -","- C344 H256 N32 O8 -","8","1","","Nawaz, Shah; Huang, Yue; Bao, Xiaoze; Wei, Shiqiang; Wei, Xingfu; Qu, Jingping; Wang, Baomin","Construction of a spiro[pyrazolone-4,2'-pyridoindole] scaffold <i>via</i> a [3 + 3] cycloaddition of 2-indolylmethanol with a 4-aminopyrazolone-derived azomethine ylide.","Organic & biomolecular chemistry","2021","19","39","8530","8538","10.1039/d1ob01631h","","","0.71073","MoKα","","0.0889","0.0547","","","0.1451","0.1645","","","","","","1.069","","","","has coordinates","270503","2021-11-06","20:41:55",""
"7158315","13.9191","0.0004","12.836","0.0004","20.3504","0.0006","90","","106.316","0.001","90","","3489.49","0.18","193","2","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(S)-6-(2-benzhydryl-5-chloro-1H-indol-3-yl)-2-chloro-6-phenyl-5,6-dihydroindeno[2,1-b]indole","","- C43 H30 Cl4 N2 -","- C43 H30 Cl4 N2 -","- C172 H120 Cl16 N8 -","4","1","","Tang, Zhicong; Hong, Gang; Hu, Chen; Wang, Qi; Zhong, Yi; Gong, Yu; Yang, Peng; Wang, Limin","La(OTf)<sub>3</sub> facilitated self-condensation of 2-indolylmethanol: construction of highly substituted indeno[1,2-<i>b</i>]indoles.","Organic & biomolecular chemistry","2021","19","47","10337","10342","10.1039/d1ob01517f","","","1.34139","GaKα","","0.0574","0.0497","","","0.1263","0.1325","","","","","","1.035","","","","has coordinates","271870","2022-01-06","21:57:35",""
"7158316","12.1173","0.0008","13.979","0.0009","17.7969","0.0007","78.96","0.004","80.192","0.005","68.596","0.006","2738","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-(2-(bis(4-(trifluoromethyl)phenyl)methyl)-1H-indol-3-yl)-9-(trifluoromethyl)-6-(4-(trifluoromethyl)phenyl)-5,6-dihydroindeno[2,1-b]indole","","- C46 H26 F12 N2 -","- C92 H52 F24 N4 -","- C92 H52 F24 N4 -","1","0.5","","Tang, Zhicong; Hong, Gang; Hu, Chen; Wang, Qi; Zhong, Yi; Gong, Yu; Yang, Peng; Wang, Limin","La(OTf)<sub>3</sub> facilitated self-condensation of 2-indolylmethanol: construction of highly substituted indeno[1,2-<i>b</i>]indoles.","Organic & biomolecular chemistry","2021","19","47","10337","10342","10.1039/d1ob01517f","","","1.54184","CuKα","","0.1291","0.0993","","","0.3321","0.3679","","","","","","1.289","","","","has coordinates,has disorder","271870","2022-01-06","21:57:35",""
"7158317","15.2822","0.0005","20.3116","0.0005","16.7995","0.0006","90","","117.084","0.005","90","","4642.8","0.3","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 Ca Cl3 I2 N8 O12 -","- C31 H53 Ca Cl3 I2 N8 O12 -","- C124 H212 Ca4 Cl12 I8 N32 O48 -","4","1","","Zhu, Jun; Wang, Xu-Dong; Luo, Jian; Ao, Yu-Fei; Wang, Qi-Qiang; Wang, De-Xian","Cation-chloride cotransport mediated by an ion pair transporter.","Organic & biomolecular chemistry","2021","19","39","8586","8590","10.1039/d1ob01617b","","","0.71073","MoKα","","0.0383","0.0338","","","0.0808","0.0828","","","","","","1.058","","","","has coordinates","270500","2021-11-06","20:41:31",""
"7158318","18.868","0.005","12.831","0.004","7.106","0.003","90","","93.222","0.013","90","","1717.6","1","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Br F3 N O3 S -","- C17 H11 Br F3 N O3 S -","- C68 H44 Br4 F12 N4 O12 S4 -","4","1","","Su, Shixuan; Yan, Zhipeng; Ye, Xingyuan; Wang, Jingyang; Li, Yuan; He, Guangke","PhI(OAc)2-mediated trifluoromethylthiolation/oxidative cyclization of ynamides","Organic & Biomolecular Chemistry","2021","19","40","8746","8753","10.1039/D1OB01642C","","","0.71073","MoKα","","0.0885","0.0668","","","0.2057","0.2603","","","","","","1.062","","","","has coordinates","270510","2021-11-06","20:43:04",""
"7158319","5.516","0.001","19.977","0.003","30.8","0.01","90","","90","","90","","3393.9","1.4","295","2","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 N4 O3 -","- C41 H42 N4 O3 -","- C164 H168 N16 O12 -","4","1","","Kozhemyakin, Grigory L.; Tyurin, Vladimir S.; Shkirdova, Alena O.; Belyaev, Evgeny S.; Kirinova, Ekaterina S.; Ponomarev, Gelii V.; Chistov, Alexey A.; Aralov, Andrey V.; Tafeenko, Victor A.; Zamilatskov, Ilya A.","Carbene functionalization of porphyrinoids through tosylhydrazones.","Organic & biomolecular chemistry","2021","19","42","9199","9210","10.1039/d1ob01626a","","","1.54186","CuKα","","0.3021","0.1405","","","0.3317","0.4249","","","","","","0.877","","","","has coordinates","270499","2021-11-06","20:41:24",""
"7158320","11.7785","0.0007","17.1967","0.0009","11.2241","0.0006","90","","115.786","0.008","90","","2047.1","0.2","150","0.1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N O2 P -","- C24 H24 N O2 P -","- C96 H96 N4 O8 P4 -","4","1","","Popovics-Tóth, Nóra; Rávai, Bettina; Tajti, Ádám; Varga, Bence; Bagi, Péter; Perdih, Franc; Szabó, Pál Tamás; Hackler, Jr, László; Puskás, László G; Bálint, Erika","Three-component synthesis, utilization and biological activity of phosphinoyl-functionalized isoindolinones.","Organic & biomolecular chemistry","2021","19","40","8754","8760","10.1039/d1ob01610e","","","0.71073","MoKα","","0.0597","0.0429","","","0.1008","0.1157","","","","","","1.059","","","","has coordinates","270511","2021-11-06","20:43:11",""
"7158321","11.3292","0.0004","10.3205","0.0003","18.9713","0.0008","90","","106.63","0.004","90","","2125.4","0.14","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Cl2 N2 O2 P2 Pt -","- C48 H48 Cl2 N2 O2 P2 Pt -","- C96 H96 Cl4 N4 O4 P4 Pt2 -","2","0.5","","Popovics-Tóth, Nóra; Rávai, Bettina; Tajti, Ádám; Varga, Bence; Bagi, Péter; Perdih, Franc; Szabó, Pál Tamás; Hackler, Jr, László; Puskás, László G; Bálint, Erika","Three-component synthesis, utilization and biological activity of phosphinoyl-functionalized isoindolinones.","Organic & biomolecular chemistry","2021","19","40","8754","8760","10.1039/d1ob01610e","","","0.71073","MoKα","","0.0361","0.026","","","0.0559","0.0614","","","","","","1.062","","","","has coordinates","270511","2021-11-06","20:43:11",""
"7158322","10.9106","0.0016","11.628","0.002","11.7739","0.0019","97.036","0.014","110.448","0.014","105.848","0.014","1306.5","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 N O5 S -","- C29 H27 N O5 S -","- C58 H54 N2 O10 S2 -","2","1","","Shen, Jinhui; Yu, Aimin; Meng, Xiangtai","Stereoselective [4 + 3] annulation of azadienes and ethyl 4-bromo-3-oxobutanoate: construction of benzindeno-fused azepine derivatives.","Organic & biomolecular chemistry","2021","19","41","9026","9030","10.1039/d1ob01749g","","x-ray","0.71073","MoKα","","0.1293","0.0691","","","0.1701","0.2161","","","","","","1.023","","","","has coordinates,has disorder","270498","2021-11-06","20:41:07",""
"7158323","8.3217","0.0011","10.3997","0.0014","15.418","0.002","84.83","0.002","78.631","0.002","85.649","0.002","1300.5","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","ss","","- C28 H25 N O5 S2 -","- C28 H25 N O5 S2 -","- C56 H50 N2 O10 S4 -","2","1","","Shen, Jinhui; Yu, Aimin; Meng, Xiangtai","Stereoselective [4 + 3] annulation of azadienes and ethyl 4-bromo-3-oxobutanoate: construction of benzindeno-fused azepine derivatives.","Organic & biomolecular chemistry","2021","19","41","9026","9030","10.1039/d1ob01749g","","x-ray","0.71073","MoKα","","0.0742","0.0615","","","0.1495","0.1605","","","","","","1.044","","","","has coordinates","270498","2021-11-06","20:41:08",""
"7158324","11.0425","0.0001","16.3615","0.0001","14.8646","0.0001","90","","102.389","0.001","90","","2623.08","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 N O5 S -","- C29 H29 N O5 S -","- C116 H116 N4 O20 S4 -","4","1","","Shen, Jinhui; Yu, Aimin; Meng, Xiangtai","Stereoselective [4 + 3] annulation of azadienes and ethyl 4-bromo-3-oxobutanoate: construction of benzindeno-fused azepine derivatives.","Organic & biomolecular chemistry","2021","19","41","9026","9030","10.1039/d1ob01749g","","x-ray","1.54184","CuKα","","0.0393","0.0354","","","0.1036","0.1069","","","","","","1.077","","","","has coordinates","270498","2021-11-06","20:41:08",""
"7158325","8.1947","0.0001","13.0078","0.0002","13.8955","0.0002","112.119","0.002","96.231","0.001","100.047","0.001","1326.27","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 N O7 S -","- C29 H27 N O7 S -","- C58 H54 N2 O14 S2 -","2","1","","Shen, Jinhui; Yu, Aimin; Meng, Xiangtai","Stereoselective [4 + 3] annulation of azadienes and ethyl 4-bromo-3-oxobutanoate: construction of benzindeno-fused azepine derivatives.","Organic & biomolecular chemistry","2021","19","41","9026","9030","10.1039/d1ob01749g","","x-ray","1.54184","CuKα","","0.0448","0.041","","","0.114","0.1183","","","","","","1.06","","","","has coordinates","270498","2021-11-06","20:41:08",""
"7158326","11.7154","0.0001","12.1997","0.0001","18.576","0.0002","81.916","0.001","82.255","0.001","78.778","0.001","2562.51","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H58 N2 O10 S2 -","- C58 H58 N2 O10 S2 -","- C116 H116 N4 O20 S4 -","2","1","","Shen, Jinhui; Yu, Aimin; Meng, Xiangtai","Stereoselective [4 + 3] annulation of azadienes and ethyl 4-bromo-3-oxobutanoate: construction of benzindeno-fused azepine derivatives.","Organic & biomolecular chemistry","2021","19","41","9026","9030","10.1039/d1ob01749g","","","1.54184","CuKα","","0.0447","0.0397","","","0.1099","0.1133","","","","","","1.071","","","","has coordinates,has disorder","270498","2021-11-06","20:41:08",""
"7158327","12.8894","0.0007","13.1148","0.0007","14.7203","0.0008","90","","90","","90","","2488.3","0.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32.65 Cl Ir N O1.32 P -","- C27 H32.64 Cl Ir N O1.32 P -","- C108 H130.56 Cl4 Ir4 N4 O5.28 P4 -","4","1","","Dai, Zengjin; Pan, Ying-Min; Wang, Shou-Guo; Zhang, Xumu; Yin, Qin","Direct reductive amination of ketones with ammonium salt catalysed by Cp*Ir(III) complexes bearing an amidato ligand.","Organic & biomolecular chemistry","2021","19","41","8934","8939","10.1039/d1ob01710a","","x-ray","1.54178","CuKα","","0.0262","0.0261","","","0.0682","0.0682","","","","","","1.092","","","","has coordinates","270496","2021-11-06","20:40:51",""
"7158328","6.5607","0.0001","7.5167","0.0002","28.7149","0.0006","90","","95.426","0.001","90","","1409.72","0.05","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Marras, Valentina; Caboni, Pierluigi; Secci, Francesco; Guillot, Régis; Aitken, David J.; Frongia, Angelo","A Brønsted acid catalyzed tandem reaction for the diastereoselective synthesis of cyclobuta-fused tetrahydroquinoline carboxylic esters.","Organic & biomolecular chemistry","2021","19","41","8912","8916","10.1039/d1ob01518d","","x-ray","1.54178","CuKα","","0.0525","0.0457","","","0.0992","0.1019","","","","","","1.118","","","","has coordinates","270497","2021-11-06","20:40:58",""
"7158329","11.1401","0.0003","28.7617","0.0007","11.7457","0.0003","90","","90.521","0.001","90","","3763.26","0.17","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C176 H208 N16 O16 -","8","4","","Marras, Valentina; Caboni, Pierluigi; Secci, Francesco; Guillot, Régis; Aitken, David J.; Frongia, Angelo","A Brønsted acid catalyzed tandem reaction for the diastereoselective synthesis of cyclobuta-fused tetrahydroquinoline carboxylic esters.","Organic & biomolecular chemistry","2021","19","41","8912","8916","10.1039/d1ob01518d","","x-ray","1.54178","CuKα","","0.0343","0.0324","","","0.0805","0.0817","","","","","","1.025","","","","has coordinates,has disorder","270497","2021-11-06","20:40:58",""
"7158330","9.087","0.001","10.0635","0.0013","13.3909","0.0017","80.956","0.004","81.422","0.004","65.23","0.004","1093.3","0.2","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C23 H22 Br N3 O S -","- C23 H22 Br N3 O S -","- C46 H44 Br2 N6 O2 S2 -","2","1","","Paysant, Hippolyte; Hedir, Siham; Justaud, Frédéric; Weiswald, Louis Bastien; El Dine, Assaad Nasr; Soulieman, Ali; Hachem, Ali; Elie, Nicolas; Brotin, Emilie; Denoyelle, Christophe; Bignon, Jérôme; Roussi, Fanny; Jouanne, Marie; Tasseau, Olivier; Roisnel, Thierry; Voisin-Chiret, Anne Sophie; Grée, René; Levoin, Nicolas; Poulain, Laurent","Structural revision of the Mcl-1 inhibitor MIM1: synthesis and biological studies on ovarian cancer cells with evaluation of designed analogues.","Organic & biomolecular chemistry","2021","19","41","8968","8987","10.1039/d1ob01521d","","x-ray","0.71073","MoKα","","0.0333","0.0264","","","0.0557","0.0595","","","","","","0.999","","","","has coordinates","270492","2021-11-06","20:40:22",""
"7158331","24.627","0.003","40.014","0.004","9.3291","0.0011","90","","90","","90","","9193.1","1.8","150","","150","","","","","","","","synthesis as described","6","F d d 2","F 2 -2d","43","","","","- C23 H20 Br N3 O S -","- C23 H20 Br N3 O S -","- C368 H320 Br16 N48 O16 S16 -","16","1","","Paysant, Hippolyte; Hedir, Siham; Justaud, Frédéric; Weiswald, Louis Bastien; El Dine, Assaad Nasr; Soulieman, Ali; Hachem, Ali; Elie, Nicolas; Brotin, Emilie; Denoyelle, Christophe; Bignon, Jérôme; Roussi, Fanny; Jouanne, Marie; Tasseau, Olivier; Roisnel, Thierry; Voisin-Chiret, Anne Sophie; Grée, René; Levoin, Nicolas; Poulain, Laurent","Structural revision of the Mcl-1 inhibitor MIM1: synthesis and biological studies on ovarian cancer cells with evaluation of designed analogues.","Organic & biomolecular chemistry","2021","19","41","8968","8987","10.1039/d1ob01521d","","x-ray","0.71073","MoKα","","0.0298","0.0276","","","0.0655","0.0664","","","","","","1.061","","","","has coordinates","270492","2021-11-06","20:40:23",""
"7158332","7.8822","0.0017","31.959","0.006","9.896","0.002","90","","121.156","0.007","90","","2133.3","0.8","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Cl N3 O3 S -","- C20 H28 Cl N3 O3 S -","- C80 H112 Cl4 N12 O12 S4 -","4","1","","Paysant, Hippolyte; Hedir, Siham; Justaud, Frédéric; Weiswald, Louis Bastien; El Dine, Assaad Nasr; Soulieman, Ali; Hachem, Ali; Elie, Nicolas; Brotin, Emilie; Denoyelle, Christophe; Bignon, Jérôme; Roussi, Fanny; Jouanne, Marie; Tasseau, Olivier; Roisnel, Thierry; Voisin-Chiret, Anne Sophie; Grée, René; Levoin, Nicolas; Poulain, Laurent","Structural revision of the Mcl-1 inhibitor MIM1: synthesis and biological studies on ovarian cancer cells with evaluation of designed analogues.","Organic & biomolecular chemistry","2021","19","41","8968","8987","10.1039/d1ob01521d","","x-ray","0.71073","MoKα","","0.0496","0.0407","","","0.0929","0.0972","","","","","","1.072","","","","has coordinates","270492","2021-11-06","20:40:23",""
"7158333","8.3093","0.0004","7.7536","0.0003","21.1019","0.0009","90","","94.235","0.002","90","","1355.82","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N4 S -","- C15 H14 N4 S -","- C60 H56 N16 S4 -","4","1","","Kutasevich, Anton V.; Niktarov, Anton S.; Uvarova, Ekaterina S.; Karnoukhova, Valentina A.; Mityanov, Vitaly S.","A novel approach to bis(1,3-azol-2-yl)acetonitriles and bis(1,3-azol-2-yl)methanes <i>via</i> the [3 + 2]-dipolar cycloaddition of imidazole <i>N</i>-oxides and 2-heteroaryl-3,3-dimethylacrylonitriles.","Organic & biomolecular chemistry","2021","19","41","8988","8998","10.1039/d1ob01441b","","","0.71073","MoKα","","0.0402","0.0341","","","0.0976","0.1001","","","","","","1.03","","","","has coordinates","270494","2021-11-06","20:40:39",""
"7158334","12.1703","0.0004","8.7069","0.0003","17.7917","0.0006","90","","104.923","0.002","90","","1821.72","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 O S -","- C21 H18 N4 O S -","- C84 H72 N16 O4 S4 -","4","1","","Kutasevich, Anton V.; Niktarov, Anton S.; Uvarova, Ekaterina S.; Karnoukhova, Valentina A.; Mityanov, Vitaly S.","A novel approach to bis(1,3-azol-2-yl)acetonitriles and bis(1,3-azol-2-yl)methanes <i>via</i> the [3 + 2]-dipolar cycloaddition of imidazole <i>N</i>-oxides and 2-heteroaryl-3,3-dimethylacrylonitriles.","Organic & biomolecular chemistry","2021","19","41","8988","8998","10.1039/d1ob01441b","","","0.71073","MoKα","","0.0558","0.0386","","","0.1009","0.1076","","","","","","1.038","","","","has coordinates","270494","2021-11-06","20:40:40",""
"7158335","11.705","0.004","15.007","0.005","7.459","0.002","90","","105.239","0.003","90","","1264.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 I O4 S -","- C11 H9 I O4 S -","- C44 H36 I4 O16 S4 -","4","1","","Lu, Ling-Hui; Ou, Guangchuan; Zhao, Xiongjie; Wang, Yufei; Chen, Xuelian; Liao, Wenjun; Li, Shundan; Wu, Chao","Selective difunctionalization of electron-deficient alkynes: access to (<i>E</i>)-2-iodo-3-(methylthio)acrylate.","Organic & biomolecular chemistry","2021","19","37","8128","8132","10.1039/d1ob01287h","","","0.71073","MoKα","","0.0342","0.0289","","","0.0804","0.0838","","","","","","1.057","","","","has coordinates","269593","2021-10-05","21:04:46",""
"7158336","8.9489","0.0003","10.214","0.0002","29.3155","0.0006","90","","90","","90","","2679.56","0.12","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 Br2 N2 O4 S -","- C27 H26 Br2 N2 O4 S -","- C108 H104 Br8 N8 O16 S4 -","4","1","","Yang, Xiao-Peng; Lv, Hao-Peng; Yang, Hao-Di; Wang, Bai-Lin; Wang, Xing-Wang","Box-copper catalyzed cascade asymmetric amidation for chiral <i>exo</i>-methylene aminoindoline derivatives.","Organic & biomolecular chemistry","2021","19","43","9373","9378","10.1039/d1ob01242h","","","1.54184","CuKα","","0.0638","0.0614","","","0.1504","0.154","","","","","","1.125","","","","has coordinates","271215","2021-12-07","03:51:56",""
"7158337","8.1174","0.0006","18.2984","0.0012","12.9072","0.0008","90","","101.79","0.007","90","","1876.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Cl3 N6 O2 -","- C16 H17 Cl3 N6 O2 -","- C64 H68 Cl12 N24 O8 -","4","1","","Eltyshev, Alexander K.; Agafonova, Irina A.; Minin, Artem S.; Pozdina, Varvara A.; Shevirin, Vadim A.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Photophysics, photochemistry and bioimaging application of 8-azapurine derivatives.","Organic & biomolecular chemistry","2021","19","45","9880","9896","10.1039/d1ob01801a","","x-ray","0.71073","MoKα","","0.0959","0.0591","","","0.1612","0.2073","","","","","","1.048","","","","has coordinates","271232","2021-12-07","03:56:13",""
"7158338","7.9266","0.0005","8.4539","0.0006","15.2045","0.0009","86.573","0.005","89.013","0.005","65.02","0.007","921.87","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Cl3 N6 O2 -","- C16 H15 Cl3 N6 O2 -","- C32 H30 Cl6 N12 O4 -","2","1","","Eltyshev, Alexander K.; Agafonova, Irina A.; Minin, Artem S.; Pozdina, Varvara A.; Shevirin, Vadim A.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Photophysics, photochemistry and bioimaging application of 8-azapurine derivatives.","Organic & biomolecular chemistry","2021","19","45","9880","9896","10.1039/d1ob01801a","","x-ray","0.71073","MoKα","","0.1174","0.0703","","","0.1984","0.2439","","","","","","1.034","","","","has coordinates,has disorder","271232","2021-12-07","03:56:13",""
"7158339","7.4594","0.0004","11.112","0.0005","12.7546","0.0006","72.929","0.001","85.141","0.001","80.711","0.001","996.6","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H19 N O -","- C30 H19 N O -","- C60 H38 N2 O2 -","2","1","","Rao, Maddali L. N.; Islam, Sk Shamim","Copper-catalyzed synthesis of 1-(2-benzofuryl)-N-heteroarenes from <i>o</i>-hydroxy-<i>gem</i>-(dibromovinyl)benzenes and N-heteroarenes.","Organic & biomolecular chemistry","2021","19","41","9076","9080","10.1039/d1ob01765a","","","0.71073","MoKα","","0.055","0.043","","","0.103","0.1087","","","","","","1.065","","","","has coordinates","270495","2021-11-06","20:40:45",""
"7158340","18.8139","0.0012","13.3867","0.0006","15.4997","0.0009","90","","100.572","0.003","90","","3837.4","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 F3 N3 O7 -","- C21 H14 F3 N3 O7 -","- C168 H112 F24 N24 O56 -","8","1","","Petropavlovskikh, Dmitry A.; Vorobyeva, Daria V.; Godovikov, Ivan A.; Nefedov, Sergey E.; Filippov, Oleg A.; Osipov, Sergey N.","Lossen rearrangement by Rh(III)-catalyzed C-H activation/annulation of aryl hydroxamates with alkynes: access to quinolone-containing amino acid derivatives.","Organic & biomolecular chemistry","2021","19","43","9421","9426","10.1039/d1ob01711j","","","0.71073","MoKα","","0.094","0.0537","","","0.1057","0.1195","","","","","","1.05","","","","has coordinates","271217","2021-12-07","03:52:21",""
"7158341","15.718","0.002","13.4294","0.0019","24.95","0.003","90","","90","","90","","5266.5","1.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H21 F3 N2 O5 -","- C27 H21 F3 N2 O5 -","- C216 H168 F24 N16 O40 -","8","1","","Petropavlovskikh, Dmitry A.; Vorobyeva, Daria V.; Godovikov, Ivan A.; Nefedov, Sergey E.; Filippov, Oleg A.; Osipov, Sergey N.","Lossen rearrangement by Rh(III)-catalyzed C-H activation/annulation of aryl hydroxamates with alkynes: access to quinolone-containing amino acid derivatives.","Organic & biomolecular chemistry","2021","19","43","9421","9426","10.1039/d1ob01711j","","","0.71073","MoKα","","0.1609","0.087","","","0.2044","0.2534","","","","","","1.008","","","","has coordinates","271217","2021-12-07","03:52:22",""
"7158342","10.8152","0.0008","16.2213","0.0011","32.017","0.002","90","","93.774","0.002","90","","5604.8","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H49 Cl4 F6 N4 O10 -","- C58 H49 Cl4 F6 N4 O10 -","- C232 H196 Cl16 F24 N16 O40 -","4","1","","Petropavlovskikh, Dmitry A.; Vorobyeva, Daria V.; Godovikov, Ivan A.; Nefedov, Sergey E.; Filippov, Oleg A.; Osipov, Sergey N.","Lossen rearrangement by Rh(III)-catalyzed C-H activation/annulation of aryl hydroxamates with alkynes: access to quinolone-containing amino acid derivatives.","Organic & biomolecular chemistry","2021","19","43","9421","9426","10.1039/d1ob01711j","","","0.71073","MoKα","","0.1291","0.076","","","0.1813","0.2095","","","","","","1.004","","","","has coordinates","271217","2021-12-07","03:52:22",""
"7158343","9.1811","0.0002","9.9659","0.0002","14.9148","0.0004","85.493","0.002","80.059","0.002","63.776","0.003","1205.83","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N2 O3 -","- C30 H28 N2 O3 -","- C60 H56 N4 O6 -","2","1","","Liu, Chao; Zhao, Ruiqi; Song, Liangliang; Li, Zhenghua; Tian, Guilong; He, Yi; Van Meervelt, Luc; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Palladium-catalyzed post-Ugi arylative dearomatization/Michael addition cascade towards plicamine analogues.","Organic & biomolecular chemistry","2021","19","44","9752","9757","10.1039/d1ob01805a","","x-ray","0.71073","MoKα","","0.0583","0.047","","","0.1133","0.1204","","","","","","1.075","","","","has coordinates","271206","2021-12-07","03:49:52",""
"7158344","13.4998","0.0006","21.9675","0.0008","7.6004","0.0003","90","","101.456","0.005","90","","2209.05","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br2 N6 -","- C24 H20 Br2 N6 -","- C96 H80 Br8 N24 -","4","1","","Gupta, Shiv Shankar; Manisha, ?; Kumar, Rakesh; Dhiman, Ankit Kumar; Sharma, Upendra","Predictable site-selective functionalization: Promoter group assisted <i>para</i>-halogenation of <i>N</i>-substituted <b>(</b>hetero<b>)</b>aromatics under metal-free condition.","Organic & biomolecular chemistry","2021","19","44","9675","9687","10.1039/d1ob02000e","","x-ray","1.54184","CuKα","","0.0522","0.0399","","","0.098","0.1121","","","","","","1.042","","","","has coordinates","271211","2021-12-07","03:50:56",""
"7158345","15.2432","0.0013","6.8557","0.0004","19.6543","0.0015","90","","99.415","0.007","90","","2026.3","0.3","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N4 O -","- C23 H26 N4 O -","- C92 H104 N16 O4 -","4","1","","Soam, Pooja; Gaba, Hashmita; Mandal, Debasish; Tyagi, Vikas","A Pd-catalyzed one-pot cascade consisting of C-C/C-O/N-N bond formation to access benzoxazine fused 1,2,3-triazoles.","Organic & biomolecular chemistry","2021","19","45","9936","9945","10.1039/d1ob01539g","","x-ray","0.71073","MoKα","","0.0831","0.0559","","","0.1361","0.161","","","","","","1.08","","","","has coordinates","271228","2021-12-07","03:55:36",""
"7158346","19.2668","0.0006","10.713","0.0004","7.8156","0.0002","90","","90","","90","","1613.18","0.09","295.7","0.4","295.7","0.4","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H13 N3 -","- C20 H13 N3 -","- C80 H52 N12 -","4","1","","Jia, Ruo-Ling; Liu, Qing-Ling; Yang, Long-Wei; Deng, Shi; Song, Yang","[6 + 3] Annulations of Morita-Baylis-Hillman carbonates and dicyanoheptafulvene.","Organic & biomolecular chemistry","2021","19","45","9867","9871","10.1039/d1ob00854d","","x-ray","1.54184","CuKα","","0.0607","0.0573","","","0.1416","0.1466","","","","","","1.084","","","","has coordinates","271225","2021-12-07","03:54:28",""
"7158347","11.631","0.002","14.557","0.003","15.796","0.003","90","","90","","90","","2674.5","0.9","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","1","","Xu, Zhaoliang; Hu, Yu; Wang, Lei; Sun, Mingli; Li, Pinhua","Merging cobalt and photoredox catalysis for the C8-H alkoxylation of 1-naphthylamine derivatives with alcohols.","Organic & biomolecular chemistry","2021","19","46","10112","10119","10.1039/d1ob01721g","","","0.71073","MoKα","","0.1003","0.0436","","","0.0937","0.1143","","","","","","1.001","","","","has coordinates","271220","2021-12-07","03:53:17",""
"7158348","10.646","0.002","11.634","0.003","12.087","0.003","101.823","0.013","109.747","0.01","91.715","0.013","1371.1","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","benzyl (E)-2-((4-(benzyloxy)-4-oxobut-2-en-2-yl)oxy)-7-ethoxy-5H-chromeno[3,4-b]pyridine-3-carboxylate","","- C33 H29 N O7 -","- C33 H29 N O7 -","- C66 H58 N2 O14 -","2","1","","Soares, Maria I. L.; Gomes, Clara S. B.; Oliveira, M Conceição; Marçalo, Joaquim; Pinho E Melo, Teresa M V D","Synthesis of 5<i>H</i>-chromeno[3,4-<i>b</i>]pyridines <i>via</i> DABCO-catalyzed [3 + 3] annulation of 3-nitro-2<i>H</i>-chromenes and allenoates.","Organic & biomolecular chemistry","2021","19","44","9711","9722","10.1039/d1ob01130h","","x-ray","0.71073","MoKα","","0.125","0.0422","","","0.0985","0.11","","","","","","1.028","","","","has coordinates","271212","2021-12-07","03:51:07",""
"7158349","8.708","0.002","13.624","0.004","17.004","0.005","66.753","0.006","79.781","0.007","88.762","0.007","1821.5","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Benzyl 2-hydroxy-8,10-dimethoxy-5H-chromeno[3,4-b]pyridine-3-carboxylate","","- C22 H19 N O6 -","- C22 H19 N O6 -","- C88 H76 N4 O24 -","4","2","","Soares, Maria I. L.; Gomes, Clara S. B.; Oliveira, M Conceição; Marçalo, Joaquim; Pinho E Melo, Teresa M V D","Synthesis of 5<i>H</i>-chromeno[3,4-<i>b</i>]pyridines <i>via</i> DABCO-catalyzed [3 + 3] annulation of 3-nitro-2<i>H</i>-chromenes and allenoates.","Organic & biomolecular chemistry","2021","19","44","9711","9722","10.1039/d1ob01130h","","x-ray","0.71073","MoKα","","0.1917","0.0946","","","0.1675","0.1941","","","","","","1.025","","","","has coordinates","271212","2021-12-07","03:51:10",""
"7158350","8.3925","0.0006","11.705","0.0009","23.1584","0.0019","90","","90","","90","","2274.9","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","5aa","","- C11 H9 F3 N2 O S -","- C11 H9 F3 N2 O S -","- C88 H72 F24 N16 O8 S8 -","8","1","","Thomas Passia, Marco; Schöbel, Jan-Hendrik; Julian Lentelink, Niklas; Truong, Khai-Nghi; Rissanen, Kari; Bolm, Carsten","Synthesis of trifluoromethyl-substituted 1,2,6-thiadiazine 1-oxides from sulfonimidamides under mechanochemical conditions.","Organic & biomolecular chemistry","2021","19","43","9470","9475","10.1039/d1ob01912k","","","0.71073","MoKα","","0.137","0.0724","","","0.0811","0.1043","","","","","","0.997","","","","has coordinates","271216","2021-12-07","03:52:10",""
"7158351","7.6104","0.0012","7.8056","0.0014","12.0015","0.0019","90.867","0.002","102.061","0.002","115.696","0.003","623.71","0.18","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","8","","- C11 H8 Br F3 N2 O S -","- C11 H8 Br F3 N2 O S -","- C22 H16 Br2 F6 N4 O2 S2 -","2","1","","Thomas Passia, Marco; Schöbel, Jan-Hendrik; Julian Lentelink, Niklas; Truong, Khai-Nghi; Rissanen, Kari; Bolm, Carsten","Synthesis of trifluoromethyl-substituted 1,2,6-thiadiazine 1-oxides from sulfonimidamides under mechanochemical conditions.","Organic & biomolecular chemistry","2021","19","43","9470","9475","10.1039/d1ob01912k","","","0.71073","MoKα","","0.0693","0.0527","","","0.1167","0.1262","","","","","","1.071","","","","has coordinates","271216","2021-12-07","03:52:10",""
"7158352","13.6962","0.0003","13.6338","0.0002","9.271","0.0002","90","","104.983","0.003","90","","1672.33","0.06","150","0.18","150","0.18","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O3 -","- C18 H23 N3 O3 -","- C72 H92 N12 O12 -","4","1","","McNaughton, Daniel A.; To, Tsz Ying Teresa; Hawkins, Bryson A.; Hibbs, David E.; Gale, Philip A.","Delivering anion transporters to lipid bilayers in water.","Organic & biomolecular chemistry","2021","19","44","9624","9628","10.1039/d1ob02041b","","x-ray","0.71073","MoKα","","0.0675","0.056","","","0.1415","0.1521","","","","","","1.042","","","","has coordinates","271210","2021-12-07","03:50:27",""
"7158353","8.1181","0.0002","13.6649","0.0004","17.6062","0.0006","108.557","0.003","100.746","0.002","95.887","0.002","1791.4","0.1","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H59 Cl N4 O3 -","- C34 H59 Cl N4 O3 -","- C68 H118 Cl2 N8 O6 -","2","1","","McNaughton, Daniel A.; To, Tsz Ying Teresa; Hawkins, Bryson A.; Hibbs, David E.; Gale, Philip A.","Delivering anion transporters to lipid bilayers in water.","Organic & biomolecular chemistry","2021","19","44","9624","9628","10.1039/d1ob02041b","","x-ray","0.71073","MoKα","","0.0562","0.0422","","","0.105","0.1145","","","","","","1.034","","","","has coordinates","271210","2021-12-07","03:50:39",""
"7158354","42.9415","0.0011","6.2417","0.0002","13.2277","0.0003","90","","94.68","0.002","90","","3533.57","0.17","150","0.2","150","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C168 H184 N24 O32 -","8","1","","McNaughton, Daniel A.; To, Tsz Ying Teresa; Hawkins, Bryson A.; Hibbs, David E.; Gale, Philip A.","Delivering anion transporters to lipid bilayers in water.","Organic & biomolecular chemistry","2021","19","44","9624","9628","10.1039/d1ob02041b","","x-ray","0.71073","MoKα","","0.0471","0.0397","","","0.0943","0.099","","","","","","1.029","","","","has coordinates","271210","2021-12-07","03:50:41",""
"7158355","13.5595","0.0002","7.5471","0.0001","18.0224","0.0003","90","","106","0.002","90","","1772.87","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","","Efremova, Mariia M.; Makarova, Anastasia A.; Novikov, Alexander S.; Kryukova, Mariya A.; Kuznetsov, Mikhail A.; Molchanov, Alexander P.","Regio- and stereoselective (3 + 2)-cycloaddition reactions of nitrones with cyclic allenes.","Organic & biomolecular chemistry","2021","19","44","9773","9784","10.1039/d1ob01584b","","x-ray","1.54184","CuKα","","0.042","0.0362","","","0.0869","0.0911","","","","","","1.0359","","","","has coordinates","271205","2021-12-07","03:49:42",""
"7158356","13.0854","0.0003","7.50448","0.00014","22.3639","0.0005","90","","92.532","0.002","90","","2193.97","0.08","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Cl2 N O6 -","- C22 H25 Cl2 N O6 -","- C88 H100 Cl8 N4 O24 -","4","1","","Efremova, Mariia M.; Makarova, Anastasia A.; Novikov, Alexander S.; Kryukova, Mariya A.; Kuznetsov, Mikhail A.; Molchanov, Alexander P.","Regio- and stereoselective (3 + 2)-cycloaddition reactions of nitrones with cyclic allenes.","Organic & biomolecular chemistry","2021","19","44","9773","9784","10.1039/d1ob01584b","","x-ray","1.54184","CuKα","","0.033","0.0303","","","0.0787","0.0805","","","","","","1.044","","","","has coordinates","271205","2021-12-07","03:49:43",""
"7158357","8.3206","0.0001","10.3874","0.0001","20.7185","0.0001","90","","90","","90","","1790.69","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Efremova, Mariia M.; Makarova, Anastasia A.; Novikov, Alexander S.; Kryukova, Mariya A.; Kuznetsov, Mikhail A.; Molchanov, Alexander P.","Regio- and stereoselective (3 + 2)-cycloaddition reactions of nitrones with cyclic allenes.","Organic & biomolecular chemistry","2021","19","44","9773","9784","10.1039/d1ob01584b","","x-ray","1.54184","CuKα","","0.0357","0.0354","","","0.0928","0.0932","","","","","","1.028","","","","has coordinates","271205","2021-12-07","03:49:43",""
"7158358","8.9201","0.0003","27.3837","0.0009","9.5899","0.0003","90","","109.369","0.004","90","","2209.9","0.14","100","0.11","100","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Cl2 N O6 -","- C22 H25 Cl2 N O6 -","- C88 H100 Cl8 N4 O24 -","4","1","","Efremova, Mariia M.; Makarova, Anastasia A.; Novikov, Alexander S.; Kryukova, Mariya A.; Kuznetsov, Mikhail A.; Molchanov, Alexander P.","Regio- and stereoselective (3 + 2)-cycloaddition reactions of nitrones with cyclic allenes.","Organic & biomolecular chemistry","2021","19","44","9773","9784","10.1039/d1ob01584b","","x-ray","1.54184","CuKα","","0.0341","0.0314","","","0.0827","0.0845","","","","","","1.064","","","","has coordinates","271205","2021-12-07","03:49:43",""
"7158359","10.2285","0.0003","10.2285","0.0003","31.7311","0.001","90","","90","","90","","3319.78","0.17","101","2","101","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C40 H50 O13 -","- C40 H44 O13 -","- C160 H176 O52 -","4","0.5","","Liu, Shuai; Zhang, Cui-Shan; Ran, Xiao-Qian; Tang, Xiao-Han; Guo, Ya-Rong; Yan, Ying; Yao, Yong-Gang; Hao, Xiao-Jiang; Luo, Rong-Can; Di, Ying-Tong","Perforalactones D and E, two new C-20 quassinoids with potential activity to induce lysosomal biogenesis from the twigs of <i>Harrisonia perforata</i> (Blanco) Merr.","Organic & biomolecular chemistry","2021","19","44","9637","9640","10.1039/d1ob01927a","","","1.54178","CuKα","","0.0575","0.0575","","","0.1702","0.1702","","","","","","1.12","","","","has coordinates","271213","2021-12-07","03:51:16",""
"7158360","10.957","0.0004","29.1941","0.001","8.9667","0.0003","90","","101.076","0.003","90","","2814.84","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Br N2 O5 S -","- C31 H23 Br N2 O5 S -","- C124 H92 Br4 N8 O20 S4 -","4","1","","Zheng, Yi; Zhang, Ting-Ting; Shen, Wen-Bo","Gold-catalyzed oxidative cyclization of amide-alkynes: access to functionalized γ-lactams.","Organic & biomolecular chemistry","2021","19","44","9688","9691","10.1039/d1ob01846a","","x-ray","1.54184","CuKα","","0.0727","0.0485","","","0.1186","0.1328","","","","","","1.038","","","","has coordinates","271209","2021-12-07","03:50:16",""
"7158361","10.5525","0.0009","10.5881","0.0009","11.4412","0.0006","102.568","0.006","105.923","0.006","105.637","0.007","1123.59","0.17","293.3","0.1","293.3","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H30 O4 -","- C26 H30 O4 -","- C52 H60 O8 -","2","1","","Xiao, Jian; Zhao, Jun; Wang, Ya-Wen; Luo, Gan; Peng, Yu","Total syntheses of (+)-adunctins C and D: assignment of their absolute configurations.","Organic & biomolecular chemistry","2021","19","45","9840","9843","10.1039/d1ob02055b","","","1.54184","CuKα","","0.1039","0.0838","","","0.2422","0.2708","","","","","","1.046","","","","has coordinates","271231","2021-12-07","03:56:06",""
"7158362","20.8005","0.0006","5.76195","0.00016","37.1847","0.0013","90","","98.257","0.003","90","","4410.4","0.2","293.32","0.1","293.32","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C208 H224 O32 -","8","1","","Xiao, Jian; Zhao, Jun; Wang, Ya-Wen; Luo, Gan; Peng, Yu","Total syntheses of (+)-adunctins C and D: assignment of their absolute configurations.","Organic & biomolecular chemistry","2021","19","45","9840","9843","10.1039/d1ob02055b","","x-ray","1.54184","CuKα","","0.067","0.0546","","","0.1536","0.1664","","","","","","1.041","","","","has coordinates,has disorder","271231","2021-12-07","03:56:07",""
"7158363","10.6249","0.0004","10.6722","0.0005","11.3614","0.0005","105.317","0.004","102.94","0.004","105.98","0.004","1131.72","0.1","293.6","0.1","293.6","0.1","","","","","","","","3","P 1","P 1","1","","","","- C26 H30 O4 -","- C26 H30 O4 -","- C52 H60 O8 -","2","2","","Xiao, Jian; Zhao, Jun; Wang, Ya-Wen; Luo, Gan; Peng, Yu","Total syntheses of (+)-adunctins C and D: assignment of their absolute configurations.","Organic & biomolecular chemistry","2021","19","45","9840","9843","10.1039/d1ob02055b","","x-ray","1.54184","CuKα","","0.0822","0.0713","","","0.2089","0.2322","","","","","","1.068","","","","has coordinates","271231","2021-12-07","03:56:07",""
"7158364","17.4753","0.0017","11.4632","0.0011","26.206","0.002","90","","99.65","0.004","90","","5175.4","0.8","190","2","189.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 Cl N3 O5 -","- C26 H38 Cl N3 O5 -","- C208 H304 Cl8 N24 O40 -","8","1","","Xu, Zan-Xin; Li, Bin; Tian, Ying; Li, Min; Dong, Jun-Xing; Zhang, Guang-Jie","Pentacyclic spermidine alkaloids with radioprotective and anti-inflammatory activities from <i>Orychophragmus violaceus</i>.","Organic & biomolecular chemistry","2021","19","45","9844","9848","10.1039/d1ob01973b","","","1.34139","GaKα","","0.0451","0.036","","","0.0879","0.0951","","","","","","1.029","","","","has coordinates","271229","2021-12-07","03:55:46",""
"7158365","9.8457","0.0007","19.1932","0.0016","17.0462","0.0014","90","","101.212","0.002","90","","3159.7","0.4","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","TPEA","2,6,9,10-tetrakis(phenylethynyl)anthracene","","- C46 H26 -","- C46 H26 -","- C184 H104 -","4","1","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.0911","0.0586","","","0.1501","0.1746","","","","","","1.056","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158366","6.0741","0.0008","11.2759","0.0016","14.146","0.002","99.128","0.005","96.304","0.005","105.017","0.004","912.3","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","TTMSEA","(anthracene-2,6,9,10-tetrayltetrakis(ethyne-2,1-diyl))tetrakis(trimethylsilane)","","- C34 H42 Si4 -","- C34 H42 Si4 -","- C34 H42 Si4 -","1","0.5","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.0662","0.0436","","","0.113","0.1232","","","","","","1.038","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158367","4.6663","0.0005","14","0.0016","14.5094","0.0017","75.898","0.004","83.094","0.004","83.357","0.004","908.96","0.18","296","2","296","2","","","","","","","","3","P -1","-P 1","2","TMPEA","2,6,9,10-tetrakis((2-methoxyphenyl)ethynyl)anthracene","","- C50 H34 O4 -","- C50 H34 O4 -","- C50 H34 O4 -","1","0.5","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.0978","0.047","","","0.1239","0.1609","","","","","","0.762","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158368","9.2771","0.0009","9.6139","0.0008","14.3349","0.0014","71.119","0.003","86.812","0.004","61.782","0.003","1058.66","0.18","296","2","296","2","","","","","","","","3","P -1","-P 1","2","TDMAEA","4,4',4'',4'''-(anthracene-2,6,9,10-tetrayltetrakis(ethyne-2,1-diyl))tetrakis(N,N-dimethylaniline)","","- C54 H46 N4 -","- C54 H46 N4 -","- C54 H46 N4 -","1","0.5","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.1111","0.0562","","","0.1555","0.1939","","","","","","0.869","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158369","11.162","0.003","11.978","0.003","15.916","0.004","90","","90","","90","","2127.9","0.9","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","1,4-di(anthracen-9-yl)buta-1,3-diyne","1,4-di(anthracen-9-yl)buta-1,3-diyne","","- C32 H18 -","- C32 H18 -","- C128 H72 -","4","1","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.1641","0.0719","","","0.2009","0.2674","","","","","","0.79","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158370","14.929","0.003","11.922","0.003","10.529","0.002","90","","92.393","0.007","90","","1872.4","0.7","296","2","296","2","","","","","","","","2","P 1 c 1","P -2yc","7","TTEA","2,6,9,10-tetrakis(p-tolylethynyl)anthracene","","- C50 H34 -","- C50 H34 -","- C100 H68 -","2","1","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.1812","0.0836","","","0.1984","0.2604","","","","","","1.026","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158371","14.104","0.0006","15.1682","0.0009","24.3684","0.0012","90","","102.661","0.002","90","","5086.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 F3 O2 -","- C22 H13 F3 O2 -","- C264 H156 F36 O24 -","12","3","","Zeng, Piaopiao; Huang, Xiaoxiao; Tang, Wei; Chen, Zhiwei","Copper-catalyzed cascade radical cyclization of alkynoates: construction of aryldifluoromethylated coumarins.","Organic & biomolecular chemistry","2021","19","46","10223","10227","10.1039/d1ob01754c","","","0.71073","MoKα","","0.0856","0.0479","","","0.0954","0.1133","","","","","","1.031","","","","has coordinates","271218","2021-12-07","03:52:52",""
"7158373","6.70863","0.00006","31.0104","0.0003","6.93722","0.00007","90","","110.2","0.001","90","","1354.44","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Br N O4 -","- C15 H14 Br N O4 -","- C60 H56 Br4 N4 O16 -","4","1","","Milyutin, Constantine V.; Galimova, Renata D.; Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.; Migulin, Vasily A.; Fakhrutdinov, Artem N.; Minyaev, Mikhail E.","Photoinduced assembly of the 3,4,4a,7a-tetrahydro-1<i>H</i>-cyclopenta[<i>b</i>]pyridine-2,7-dione core on the basis of allomaltol derivatives.","Organic & biomolecular chemistry","2021","19","45","9975","9985","10.1039/d1ob01871j","","x-ray","1.54184","CuKα","","0.0257","0.0247","","","0.0675","0.0681","","","","","","1.101","","","","has coordinates","271227","2021-12-07","03:55:28",""
"7158374","9.2023","0.0003","10.58","0.0003","20.2538","0.0005","90","","101.586","0.0008","90","","1931.74","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 N3 O6 -","- C19 H27 N3 O6 -","- C76 H108 N12 O24 -","4","1","","Milyutin, Constantine V.; Galimova, Renata D.; Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.; Migulin, Vasily A.; Fakhrutdinov, Artem N.; Minyaev, Mikhail E.","Photoinduced assembly of the 3,4,4a,7a-tetrahydro-1<i>H</i>-cyclopenta[<i>b</i>]pyridine-2,7-dione core on the basis of allomaltol derivatives.","Organic & biomolecular chemistry","2021","19","45","9975","9985","10.1039/d1ob01871j","","","0.71073","MoKα","","0.0596","0.0466","","","0.1198","0.1298","","","","","","1.056","","","","has coordinates","271227","2021-12-07","03:55:29",""
"7158375","9.7637","0.0019","28.138","0.005","10.943","0.002","90","","104.379","0.003","90","","2912.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-((1R,4R)-4-(4-methoxyphenyl)-1'-methyl-2'-oxo-3-phenylspiro[cyclopentane-1,3'-indolin]-2-en-2-yl)-N,4-dimethylbenzenesulfonamide","","- C34 H32 N2 O4 S -","- C34 H32 N2 O4 S -","- C136 H128 N8 O16 S4 -","4","1","","Zhang, Dongxin; Cheng, Qihang; Chen, Lvjia; Deng, Huiqing; Cai, Hu; Zhang, Qian-Feng","Lewis acid-catalyzed [3 + 2] annulations of oxindole based spirocyclic donor-acceptor cyclopropanes with ynamides.","Organic & biomolecular chemistry","2021","19","44","9645","9648","10.1039/d1ob01922h","","","0.71073","MoKα","","0.0715","0.0457","","","0.1305","0.1534","","","","","","0.9","","","","has coordinates","271214","2021-12-07","03:51:33",""
"7158376","8.7388","0.0001","8.7377","0.0001","15.3935","0.0003","90","","105.809","0.002","90","","1130.94","0.03","100.01","0.1","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,5-di(methylbenzene)-3-(4-nitro-thiophenyl-oxoverdazyl","1,5-di(methylbenzene)-3-(4-nitro-thiophenyl-oxoverdazyl","","- C8 H11 N5 O3 S -","- C8 H11 N5 O3 S -","- C32 H44 N20 O12 S4 -","4","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","","1.54184","CuKα","","0.0439","0.0382","","","0.0905","0.0937","","","","","","1.089","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158377","7.5838","0.0001","9.8117","0.0001","12.8968","0.0001","102.553","0.001","92.841","0.001","111.32","0.001","863.837","0.018","101","1","101","1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N4 O -","- C19 H22 N4 O -","- C38 H44 N8 O2 -","2","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0342","0.0333","","","0.0911","0.0918","","","","","","1.07","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158378","10.9788","0.0001","14.7369","0.0001","22.0879","0.0002","90","","90","","90","","3573.68","0.05","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,5-bis(3-methoxybenzyl)-2,4-dimethyl-carbohydrazide","1,5-bis(3-methoxybenzyl)-2,4-dimethyl-carbohydrazide","","- C19 H22 N4 O3 -","- C19 H22 N4 O3 -","- C152 H176 N32 O24 -","8","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0355","0.0325","","","0.0831","0.085","","","","","","1.06","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158379","7.3232","0.0001","19.6029","0.0002","10.4905","0.0002","90","","107.845","0.002","90","","1433.52","0.04","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,5-bis(thiophenyl)-2,4-dimethyl-carbohydrazide","1,5-bis(thiophenyl)-2,4-dimethyl-carbohydrazide","","- C13 H14 N4 O S2 -","- C13 H14 N4 O S2 -","- C52 H56 N16 O4 S8 -","4","0.5","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0323","0.0317","","","0.1202","0.1228","","","","","","1.137","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158380","8.5045","0.0003","9.797","0.0004","11.9453","0.0005","108.084","0.004","100.023","0.003","101.754","0.003","895.65","0.07","100","0.3","100","0.3","","","","","","","","4","P -1","-P 1","2","1,5-bis(2-methoxybenzyl)-2,4-dimethyl-carbohydrazide","1,5-bis(2-methoxybenzyl)-2,4-dimethyl-carbohydrazide","","- C19 H22 N4 O3 -","- C19 H22 N4 O3 -","- C38 H44 N8 O6 -","2","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0754","0.0668","","","0.1822","0.2014","","","","","","1.07","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158381","19.7981","0.0003","7.6021","0.0001","16.1604","0.0003","90","","124.601","0.002","90","","2002.05","0.07","99.9","0.3","99.9","0.3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,5-dimethyl-3-pyridyl-oxoverdazyl","1,5-dimethyl-3-pyridyl-oxoverdazyl","","- C9 H13 N5 O -","- C9 H13 N5 O -","- C72 H104 N40 O8 -","8","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0401","0.0388","","","0.1038","0.105","","","","","","1.084","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158382","4.931","0.0001","19.1334","0.0006","20.4301","0.0006","90","","90","","90","","1927.51","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H22 N4 O2 S -","- C20 H22 N4 O2 S -","- C80 H88 N16 O8 S4 -","4","0.5","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.1463","0.1355","","","0.2605","0.2648","","","","","","1.279","","","","has coordinates,has disorder","271222","2021-12-07","03:53:41",""
"7158383","18.9089","0.0003","11.613","0.0002","10.5619","0.0002","90","","90.812","0.002","90","","2319.04","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,5-bis(thiophenyl)-2,4-bis(methylbenzyl)-carbohydrazide","1,5-bis(thiophenyl)-2,4-bis(methylbenzyl)-carbohydrazide","","- C25 H22 N4 O S2 -","- C25 H22 N4 O S2 -","- C100 H88 N16 O4 S8 -","4","0.5","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0348","0.033","","","0.0923","0.0939","","","","","","1.063","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158384","11.4529","0.0003","10.4903","0.0003","12.3136","0.0004","90","","98.94","0.002","90","","1461.44","0.07","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N6 O -","- C15 H16 N6 O -","- C60 H64 N24 O4 -","4","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.07","0.0646","","","0.1917","0.2096","","","","","","1.116","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158385","7.7803","0.0002","9.3559","0.0003","14.8204","0.0004","90","","90.009","0.003","90","","1078.8","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl N3 O4 -","- C22 H20 Cl N3 O4 -","- C44 H40 Cl2 N6 O8 -","2","1","","Kaur, Banni Preet; Sharma, Vivek; Sahoo, Subash Chandra; Chimni, Swapandeep Singh","Low catalyst loading enabled organocatalytic synthesis of chiral bis-heterocyclic frameworks containing pyrazole and isoxazole.","Organic & biomolecular chemistry","2021","19","45","9910","9924","10.1039/d1ob01313k","","x-ray","0.71073","MoKα","","0.0806","0.0561","","","0.1366","0.17","","","","","","1.087","","","","has coordinates","271230","2021-12-07","03:55:56",""
"7158386","5.5102","0.0005","9.087","0.0009","25.588","0.003","90","","90","","90","","1281.2","0.2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 F3 N2 O2 -","- C12 H17 F3 N2 O2 -","- C48 H68 F12 N8 O8 -","4","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.0772","0.057","","","0.1429","0.1783","","","","","","1.0116","","","","has coordinates","271226","2021-12-07","03:55:10",""
"7158387","5.6852","0.0003","9.4367","0.0004","12.6134","0.0006","77.963","0.004","77.679","0.004","76.073","0.004","632.8","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 F3 N O3 -","- C12 H16 F3 N O3 -","- C24 H32 F6 N2 O6 -","2","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.0884","0.0501","","","0.1116","0.1374","","","","","","1.001","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158388","6.6874","0.0006","17.3402","0.0014","11.9242","0.0011","90","","96.885","0.008","90","","1372.8","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 F3 N2 O2 -","- C13 H19 F3 N2 O2 -","- C52 H76 F12 N8 O8 -","4","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1202","0.0645","","","0.1707","0.2292","","","","","","1.006","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158389","13.671","0.002","5.8015","0.0008","18.074","0.002","90","","93.43","0.014","90","","1430.9","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 F3 N O4 -","- C13 H20 F3 N O4 -","- C52 H80 F12 N4 O16 -","4","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","","0.71073","MoKα","","0.1629","0.0703","","","0.1661","0.2356","","","","","","1.002","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158390","5.4368","0.0006","8.606","0.0007","12.6785","0.0011","93.198","0.007","100.084","0.008","92.872","0.008","582.06","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 F3 N O3 -","- C11 H14 F3 N O3 -","- C22 H28 F6 N2 O6 -","2","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.109","0.0564","","","0.1207","0.1697","","","","","","1.011","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158391","11.7168","0.001","11.9298","0.0013","12.1371","0.0012","70.519","0.009","89.748","0.007","79.574","0.008","1570.1","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 F3 N2 O2 -","- C17 H19 F3 N2 O2 -","- C68 H76 F12 N8 O8 -","4","2","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1978","0.0742","","","0.1604","0.2399","","","","","","0.984","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158392","17.7173","0.0016","5.9455","0.0008","24.594","0.003","90","","101.644","0.01","90","","2537.4","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 F3 N O3 -","- C12 H16 F3 N O3 -","- C96 H128 F24 N8 O24 -","8","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1039","0.0642","","","0.1575","0.1922","","","","","","1.034","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158393","12.8729","0.0014","12.6636","0.0014","15.6817","0.0015","90","","90","","90","","2556.4","0.5","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H17 F3 N2 O2 -","- C12 H17 F3 N2 O2 -","- C96 H136 F24 N16 O16 -","8","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1237","0.0584","","","0.1554","0.2194","","","","","","1.008","","","","has coordinates,has disorder","271226","2021-12-07","03:55:21",""
"7158394","10.2653","0.0009","9.7195","0.0012","19.2671","0.0017","90","","104.837","0.009","90","","1858.3","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 F3 N3 O2 -","- C19 H22 F3 N3 O2 -","- C76 H88 F12 N12 O8 -","4","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1534","0.0635","","","0.1454","0.2223","","","","","","1.0099","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158395","11.9566","0.0004","13.9478","0.0011","8.1538","0.0003","90","","105.607","0.003","90","","1309.66","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Gupta, Manish K.; Jena, Chinmay K.; Sharma, Nagendra K.","Pd-Catalyzed C(sp<sup>2</sup>)-H olefination: synthesis of <i>N</i>-alkylated isoindolinone scaffolds from aryl amides of amino acid esters.","Organic & biomolecular chemistry","2021","19","46","10097","10104","10.1039/d1ob01997j","","","1.54184","CuKα","","0.042","0.0386","","","0.1124","0.1156","","","","","","1.082","","","","has coordinates","271219","2021-12-07","03:53:04",""
"7158396","7.2215","0.0003","8.8635","0.0004","9.7122","0.0004","91.354","0.001","92.014","0.001","92.341","0.002","620.56","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 O S -","- C16 H12 O S -","- C32 H24 O2 S2 -","2","1","","Zhang, Zhu-Zhu; Sun, Cai-Ling; Zhang, Xiao-Hong; Zhang, Xing-Guo","Base-promoted thioannulation of <i>o</i>-alkynyl oxime ethers with sodium sulfide for the general synthesis of isothiocoumarins.","Organic & biomolecular chemistry","2021","19","46","10174","10180","10.1039/d1ob02012a","","","0.71073","MoKα","","0.0416","0.0375","","","0.107","0.1117","","","","","","1.066","","","","has coordinates","271223","2021-12-07","03:53:48",""
"7158399","7.472","0.002","10.98","0.003","12.17","0.004","115.159","0.012","102.06","0.013","95.668","0.013","863.7","0.5","298.22","","298.22","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N O S -","- C22 H17 N O S -","- C44 H34 N2 O2 S2 -","2","1","","Khan, Tabassum; Rajesh, Pallava; Arun, Doma; Yaragorla, Srinivasarao","Stereoselective sulfenylation of oxindole-derived propargyl alcohols to access sulfenylated-3-alkenyloxindoles.","Organic & biomolecular chemistry","2021","19","46","10201","10209","10.1039/d1ob01921j","","","0.71073","MoKα","","0.1915","0.0779","","","0.1371","0.164","","","","","","1.076","","","","has coordinates","271224","2021-12-07","03:53:53",""
"7158400","8.3651","0.0008","13.6367","0.0013","25.424","0.003","90","","90","","90","","2900.2","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N O P -","- C36 H32 N O P -","- C144 H128 N4 O4 P4 -","4","1","","Mino, Takashi; Fujisawa, Yohei; Yoshida, Shizuki; Hirama, Mitsuru; Akiyama, Takumu; Saito, Ryo; Yoshida, Yasushi; Kasashima, Yoshio; Sakamoto, Masami","Cinnamoyl amide type chiral P,olefin ligands for Pd-catalyzed reactions.","Organic & biomolecular chemistry","2021","19","47","10385","10389","10.1039/d1ob02086b","","","0.71073","MoKα","","0.0459","0.0361","","","0.0793","0.0861","","","","","","1.014","","","","has coordinates","271871","2022-01-06","21:57:42",""
"7158401","8.631","0.003","11.371","0.004","29.685","0.011","90","","90","","90","","2913.4","1.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N O P -","- C36 H32 N O P -","- C144 H128 N4 O4 P4 -","4","1","","Mino, Takashi; Fujisawa, Yohei; Yoshida, Shizuki; Hirama, Mitsuru; Akiyama, Takumu; Saito, Ryo; Yoshida, Yasushi; Kasashima, Yoshio; Sakamoto, Masami","Cinnamoyl amide type chiral P,olefin ligands for Pd-catalyzed reactions.","Organic & biomolecular chemistry","2021","19","47","10385","10389","10.1039/d1ob02086b","","","0.71073","MoKα","","0.1559","0.0846","","","0.1943","0.233","","","","","","1.041","","","","has coordinates,has disorder","271871","2022-01-06","21:57:42",""
"7158402","11.8848","0.0001","12.8057","0.0001","21.212","0.0003","90","","90","","90","","3228.32","0.06","99.9","0.3","99.9","0.3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H41 Cl3 N3 O6 P -","- C26.999 H40.999 Cl2.997 N3 O6 P -","- C107.996 H163.996 Cl11.988 N12 O24 P4 -","4","1","","Rouh, Hossein; Tang, Yao; Zhang, Sai; Ali, Ahmed I. M.; Unruh, Daniel; Surowiec, Kazimierz; Li, Guigen","Asymmetric synthesis of functionalized 2,3-dihydrobenzofurans using salicyl <i>N</i>-phosphonyl imines facilitated by group-assisted purification (GAP) chemistry.","Organic & biomolecular chemistry","2021","19","47","10319","10325","10.1039/d1ob02078a","","x-ray","1.54184","CuKα","","0.0361","0.0323","","","0.08","0.0828","","","","","","1.055","","","","has coordinates,has disorder","271869","2022-01-06","21:57:27",""
"7158403","4.5957","0.0003","22.3241","0.0011","14.097","0.0009","90","","92.802","0.003","90","","1444.55","0.15","99.99","","99.99","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N9 O3 -","- C32 H33 N9 O3 -","- C64 H66 N18 O6 -","2","1","","McCarney, Eoin P.; McCarthy, William J.; Lovitt, June I.; Gunnlaugsson, Thorfinnur","Macrocyclic <i>vs.</i> [2]catenane btp structures: influence of (aryl) substitution on the self templation of btp ligands in macrocyclic synthesis.","Organic & biomolecular chemistry","2021","19","46","10189","10200","10.1039/d1ob02032c","","","1.54178","CuKα","","0.0508","0.0434","","","0.1097","0.115","","","","","","1.054","","","","has coordinates","271221","2021-12-07","03:53:28",""
"7158404","17.58","0.02","16.258","0.019","10.196","0.011","90","","101.78","0.02","90","","2853","6","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H43 N7 -","- C29 H43 N7 -","- C116 H172 N28 -","4","1","","McCarney, Eoin P.; McCarthy, William J.; Lovitt, June I.; Gunnlaugsson, Thorfinnur","Macrocyclic <i>vs.</i> [2]catenane btp structures: influence of (aryl) substitution on the self templation of btp ligands in macrocyclic synthesis.","Organic & biomolecular chemistry","2021","19","46","10189","10200","10.1039/d1ob02032c","","x-ray","1.54178","CuKα","K-L~3~","0.1583","0.0904","","","0.2534","0.3128","","","","","","1.036","","","","has coordinates,has disorder","271221","2021-12-07","03:53:28",""
"7158405","4.8236","0.0002","23.2321","0.0013","25.2997","0.0015","90","","90.64","0.004","90","","2835","0.3","100","2","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N9 O3 -","- C30 H28 N9 O3 -","- C120 H112 N36 O12 -","4","1","","McCarney, Eoin P.; McCarthy, William J.; Lovitt, June I.; Gunnlaugsson, Thorfinnur","Macrocyclic <i>vs.</i> [2]catenane btp structures: influence of (aryl) substitution on the self templation of btp ligands in macrocyclic synthesis.","Organic & biomolecular chemistry","2021","19","46","10189","10200","10.1039/d1ob02032c","","","1.54178","CuKα","","0.0907","0.0762","","","0.2103","0.222","","","","","","1.107","","","","has coordinates,has disorder","271221","2021-12-07","03:53:28",""
"7158406","13.1846","0.001","7.7958","0.0007","15.6184","0.0012","90","","113.389","0.009","90","","1473.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl N2 -","- C18 H15 Cl N2 -","- C72 H60 Cl4 N8 -","4","1","","Zhang, Xiaoxiang; Zhang, Yingying; Gu, Xiaoting; Zhang, Zhuan; Wei, Wanxing; Liang, Taoyuan","Synthesis of 3-halogenated 2,3'-biindoles by a copper-mediated 2,3-difunctionalization of indoles.","Organic & biomolecular chemistry","2021","19","47","10403","10407","10.1039/d1ob02024b","","","0.71073","MoKα","","0.0887","0.0608","","","0.1305","0.1473","","","","","","1.07","","","","has coordinates","271872","2022-01-06","21:57:50",""
"7158407","18.604","0.0008","12.3733","0.0004","20.0612","0.0008","90","","97.643","0.001","90","","4576.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","19AU04","","- C26 H21 Br2 Cl O -","- C26 H21 Br2 Cl O -","- C208 H168 Br16 Cl8 O8 -","8","2","","Kuan, Tzu-Hsuan; Kotipalli, Trimurtulu; Chen, Cheng-Chun; Hou, Duen-Ren","Addition of benzyl ethers to alkynes: a metal-free synthesis of 1<i>H</i>-isochromenes.","Organic & biomolecular chemistry","2021","19","47","10390","10402","10.1039/d1ob01941d","","","0.71073","MoKα","","0.1548","0.0827","","","0.2047","0.2544","","","","","","1.021","","","","has coordinates","271868","2022-01-06","21:57:21",""
"7158408","7.085","0.003","10.81","0.005","19.32","0.007","79.174","0.015","85.596","0.011","82.452","0.014","1438.7","1","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 Cl O -","- C15 H23 Cl O -","- C60 H92 Cl4 O4 -","4","2","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","","0.0839","","","","0.2127","","","","","","1.035","","","","has coordinates","271867","2022-01-06","21:57:14",""
"7158409","8.985","0.004","14.486","0.009","10.592","0.005","90","","98.454","0.017","90","","1363.6","1.2","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl O -","- C15 H23 Cl O -","- C60 H92 Cl4 O4 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","","0.0402","","","","0.1071","","","","","","1.079","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158410","11.525","0.004","9.518","0.004","14.178","0.006","90","","98.81","0.015","90","","1536.9","1.1","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 O S -","- C16 H26 O S -","- C64 H104 O4 S4 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","","0.0522","","","","0.1193","","","","","","1.044","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158411","5.686","0.003","26.359","0.013","10.269","0.005","90","","93.343","0.017","90","","1536.5","1.3","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 O S -","- C16 H26 O S -","- C64 H104 O4 S4 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","","0.0903","","","","0.1694","","","","","","1.082","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158412","8.183","0.004","9.828","0.003","16.544","0.005","90","","90","","90","","1330.5","0.9","103","","103","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","0.0457","0.037","","","0.0721","0.0758","","","","","","1.033","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158413","9.336","0.002","12.665","0.004","12.308","0.004","90","","104.355","0.014","90","","1409.9","0.7","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl O2 -","- C15 H23 Cl O2 -","- C60 H92 Cl4 O8 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","0.0466","0.0387","","","0.0904","0.0945","","","","","","1.046","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158414","5.702","0.004","17.711","0.008","14.235","0.006","90","","94.834","0.019","90","","1432.5","1.3","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Cl O -","- C15 H23 Cl O -","- C60 H92 Cl4 O4 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","","0.0408","","","","0.1136","","","","","","1.14","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158421","9.4275","0.0008","10.8201","0.0008","27.124","0.002","92.649","0.003","93.232","0.003","92.618","0.003","2756.2","0.4","190","","190","","","","","","","","","5","P 1","P 1","1","","","","- C20 H27 N2 O6 P -","- C20 H27 N2 O6 P -","- C100 H135 N10 O30 P5 -","5","5","","Meng, Fan-Jie; Shao, Bing-Ru; Velopolcek, Maria K.; Guo, Xuan; Feng, Guang-Shou; Shi, Lei","Redox deracemization of phosphonate-substituted dihydropyrimidines.","Organic & biomolecular chemistry","2021","19","48","10570","10574","10.1039/d1ob02079j","","","1.34139","GaKα","","0.054","0.0462","","","0.1172","0.1243","","","","","","1.04","","","","has coordinates,has disorder","271873","2022-01-06","21:57:58",""
"7158422","8.9945","0.0002","8.987","0.0002","14.4355","0.0003","90","","94.766","0.001","90","","1162.84","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H29 N2 O6 P -","- C21 H29 N2 O6 P -","- C42 H58 N4 O12 P2 -","2","1","","Meng, Fan-Jie; Shao, Bing-Ru; Velopolcek, Maria K.; Guo, Xuan; Feng, Guang-Shou; Shi, Lei","Redox deracemization of phosphonate-substituted dihydropyrimidines.","Organic & biomolecular chemistry","2021","19","48","10570","10574","10.1039/d1ob02079j","","","0.71073","MoKα","","0.0359","0.032","","","0.0848","0.0888","","","","","","1.054","","","","has coordinates,has disorder","271873","2022-01-06","21:57:58",""
"7158423","17.1924","0.0002","17.1924","0.0002","8.8177","0.0002","90","","90","","90","","2606.32","0.07","100","0.1","100","0.1","","","","","","","","3","I -4","I -4","82","","","","- C15 H12 Se2 -","- C15 H12 Se2 -","- C120 H96 Se16 -","8","1","","Jagdev, Kesar; Tanini, Damiano; Lownes, Jack W.; Figliola, Carlotta; Male, Louise; Capperucci, Antonella; Grainger, Richard S.","Glutathione peroxidase mimics based on conformationally-restricted, <i>peri</i>-like, 4,5-disubstituted fluorene dichalcogenides.","Organic & biomolecular chemistry","2021","19","48","10565","10569","10.1039/d1ob02153b","","x-ray","1.54184","CuKα","","0.0147","0.0146","","","0.0368","0.0369","","","","","","1.065","","","","has coordinates","271875","2022-01-06","21:58:10",""
"7158424","9.1936","0.0002","12.7735","0.0003","17.6722","0.0004","73.363","0.002","79.2638","0.0018","71.888","0.002","1879.11","0.08","100.01","0.1","100.01","0.1","","","","","","","","3","P 1","P 1","1","","","","- C21 H24 Se2 -","- C21 H24 Se2 -","- C84 H96 Se8 -","4","4","","Jagdev, Kesar; Tanini, Damiano; Lownes, Jack W.; Figliola, Carlotta; Male, Louise; Capperucci, Antonella; Grainger, Richard S.","Glutathione peroxidase mimics based on conformationally-restricted, <i>peri</i>-like, 4,5-disubstituted fluorene dichalcogenides.","Organic & biomolecular chemistry","2021","19","48","10565","10569","10.1039/d1ob02153b","","x-ray","1.54184","CuKα","","0.0314","0.0292","","","0.0724","0.0748","","","","","","1.044","","","","has coordinates,has disorder","271875","2022-01-06","21:58:10",""
"7158431","21.4559","0.0018","8.8913","0.0008","17.8312","0.0016","90","","102.21","0.009","90","","3324.7","0.5","292.99","0.1","292.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Br N3 O3 -","- C17 H14 Br N3 O3 -","- C136 H112 Br8 N24 O24 -","8","2","","Li, Yi-Na; Li, Xue-Lin; Wu, Jin-Bo; Jiang, Hong; Liu, Yunmei; Guo, Yu; Zeng, Yao-Fu; Wang, Zhen","Metal-free regioselective nitration of quinoxalin-2(1<i>H</i>)-ones with <i>tert</i>-butyl nitrite.","Organic & biomolecular chemistry","2021","19","48","10554","10559","10.1039/d1ob02015c","","x-ray","0.71073","MoKα","","0.1298","0.0554","","","0.0981","0.1249","","","","","","1.018","","","","has coordinates","271874","2022-01-06","21:58:03",""
"7158432","11.7039","0.0006","17.6409","0.0008","15.4808","0.0007","90","","100.776","0.0011","90","","3139.9","0.3","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 N2 O2 -","- C43 H32 N2 O2 -","- C172 H128 N8 O8 -","4","1","","Zhang, Wande; Nawaz, Shah; Huang, Yue; Gong, Wenjing; Wei, Xingfu; Qu, Jingping; Wang, Baomin","C-4 benzofuranylation of pyrazolones by a metal-free catalyzed indirect heteroarylation strategy.","Organic & biomolecular chemistry","2021","19","46","10215","10222","10.1039/d1ob01920a","","","0.71073","MoKα","","0.0674","0.0425","","","0.0961","0.1041","","","","","","1","","","","has coordinates","271120","2021-12-06","06:50:29",""
"7158433","13.277","0.0009","10.5088","0.0007","27.5974","0.0019","90","","90","","90","","3850.5","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H18 Cl N O3 -","- C23 H18 Cl N O3 -","- C184 H144 Cl8 N8 O24 -","8","2","","Lu, Wen-Xiu; Xing, Jian; Sun, Yijia; Huang, Qinge; Deng, Zhenwei; Mao, Jian-Gang","Palladium-catalyzed and alcohol-enabled transformation to synthesize benzocyclic ketones.","Organic & biomolecular chemistry","2021","19","46","10210","10214","10.1039/d1ob01996a","","","0.71073","MoKα","","0.0713","0.0566","","","0.1493","0.1688","","","","","","1.106","","","","has coordinates","271121","2021-12-06","06:51:17",""