# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-18T01:23:03+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 65' 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
"1502817","20.2775","0.0016","20.2775","0.0016","11.8524","0.0019","90","","90","","120","","4220.5","0.8","100","2","100","2","","","","","","","","3","P 65","P 65","170","","","","- C32.55 H51.96 O4 -","- C32.55 H51.95 O4 -","- C195.3 H311.7 O24 -","6","1","","Maldonado, Emma; Díaz-Arumir, Humberto; Toscano, R. Alfredo; Martínez, Mahinda","Lupane triterpenes with a δ-lactone at ring E, from Lippia mexicana.","Journal of natural products","2010","73","11","1969","1972","10.1021/np100571v","","","0.71073","MoKα","","0.0777","0.067","","","0.1453","0.1507","","","","","","1.137","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504463","14.058","0.002","14.058","0.002","15.624","0.003","90","","90","","120","","2674.1","0.7","293","2","293","2","","","","","","","","3","P 65","P 65","170","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C90 H120 O24 -","6","1","","He, Lan; Hou, Jing; Gan, Maoluo; Shi, Jiangong; Chantrapromma, Suchada; Fun, Hoong-Kun; Williams, Ian D.; Sung, Herman H.-Y.","Cadinane sesquiterpenes from the leaves of Eupatorium adenophorum.","Journal of natural products","2008","71","8","1485","1488","10.1021/np800242w","","","0.71073","MoKα","","0.0941","0.045","","","0.0954","0.0998","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506258","23.446","0.016","23.446","0.016","14.036","0.014","90","","90","","120","","6682","9","293","2","293","2","","","","","","","","3","P 65","P 65","170","xylogranatin A","","","- C38 H50 O14 -","- C38 H50 O14 -","- C228 H300 O84 -","6","1","","Yin, Sheng; Fan, Cheng-Qi; Wang, Xiao-Ning; Lin, Li-Ping; Ding, Jian; Yue, Jian-Min","Xylogranatins A-D: novel tetranortriterpenoids with an unusual 9,10-seco scaffold from marine mangrove Xylocarpus granatum.","Organic letters","2006","8","21","4935","4938","10.1021/ol062101t","","","0.71073","MoKα","","0.119","0.0806","","","0.2035","0.2233","","","","","","0.958","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506320","23.721","0.003","23.721","0.003","12.93","0.003","90","","90","","120","","6300.8","1.8","293","2","293","2","","","","","","","","4","P 65","P 65","170","","Boc-(S,S)-c3diPhe-(R,R)-c3diPhe-NHiPr","","- C40 H43 N3 O4 -","- C40 H43 N3 O4 -","- C240 H258 N18 O24 -","6","1","","Crisma, Marco; Toniolo, Claudio; Royo, Soledad; Jiménez, Ana I; Cativiela, Carlos","A helical, aromatic, peptide nanotube.","Organic letters","2006","8","26","6091","6094","10.1021/ol062600u","","","1.54178","CuKα","","0.0744","0.0605","","","0.1594","0.1708","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507335","19.154","0.003","19.154","0.003","8.393","0.002","90","","90","","120","","2666.7","0.9","100","2","100","2","","","","","","","","4","P 65","P 65","170","","","","- C19.17 H17 N O3 -","- C19.16 H17 N O3 -","- C114.96 H102 N6 O18 -","6","1","","Ellison, Martha E.; Ng, Danny; Dang, Hung; Garcia-Garibay, Miguel A","Enantiospecific synthesis of vicinal stereogenic tertiary and quaternary centers by combination of configurationally-trapped radical pairs in crystalline solids.","Organic letters","2003","5","14","2531","2534","10.1021/ol0347803","","","0.71073","MoKα","","0.0507","0.0369","","","0.0874","0.0923","","","","","","0.988","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507506","10.0689","0.0013","10.0689","0.0013","30.962","0.005","90","","90","","120","","2718.5","0.7","213","2","213","2","","","","","","","","4","P 65","P 65","170","","","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C126 H156 N12 O12 -","6","1","","Myers, Andrew G.; Barbay, Joseph K.","On the Inherent Instability of α-Amino α‘-Fluoro Ketones. Evidence for Their Transformation to Reactive Oxyvinyliminium Ion Intermediates","Organic Letters","2001","3","3","425","","10.1021/ol006931x","","","0.71073","MoKα","","0.0603","0.0454","","","0.1026","0.1109","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1513514","16.4549","0.0012","16.4549","0.0012","21.286","0.003","90","","90","","120","","4991.3","0.9","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C27 H39 N3 O9 S3 -","- C27 H39 N3 O9 S3 -","- C162 H234 N18 O54 S18 -","6","1","","Jana, Poulami; Paikar, Arpita; Bera, Santu; Maity, Suman Kumar; Haldar, Debasish","Porous organic material from discotic tricarboxyamide: side chain-core interactions.","Organic letters","2014","16","1","38","41","10.1021/ol402865t","","","0.71073","MoKα","","0.169","0.078","","","0.1972","0.2483","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513606","34.2658","0.0014","34.2658","0.0014","21.8681","0.0014","90","","90","","120","","22236.3","1.9","173","","173","","","","","","","","","5","P 65","P 65","170","","","","- C126 H84 La3 N3 O21 -","- C126 H84 La3 N3 O21 -","- C756 H504 La18 N18 O126 -","6","1","","Duan, Jingui; Higuchi, Masakazu; Krishna, Rajamani; Kiyonaga, Tomokazu; Tsutsumi, Yosuke; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu","High CO2/N2/O2/CO separation in a chemically robust porous coordination polymer with low binding energy","Chemical Science","2014","5","2","660","","10.1039/c3sc52177j","","","0.71075","MoKα","","","0.0905","","","","0.2573","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515605","19.5895","0.0006","19.5895","0.0006","31.1522","0.0008","90","","90","","120","","10353","0.5","260","2","260","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H36 B3 N3 -","- C12 H36 B3 N3 -","- C288 H864 B72 N72 -","24","4","","Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.","Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity","Chemical Science","2011","2","8","1554","","10.1039/c1sc00154j","","","0.71073","MoKα","","0.1696","0.1236","","","0.3639","0.3858","","","","","","1.429","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515754","10.9741","0.0008","10.9741","0.0008","59.527","0.007","90","","90","","120","","6208.4","1","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C38 H55 N5 O8 -","- C38 H55 N5 O8 -","- C228 H330 N30 O48 -","6","1","","Maity, Sibaprasad; Jana, Poulami; Maity, Suman Kumar; Haldar, Debasish","Mesoporous vesicles from supramolecular helical peptide as drug carrier","Soft Matter","2011","7","21","10174","","10.1039/c1sm05958k","","","0.71073","MoKα","","0.0923","0.0762","","","0.225","0.2449","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517138","25.6435","0.0006","25.6435","0.0006","14.3257","0.0007","90","","90","","120","","8158.3","0.5","150","2","150","2","","","","","","","","5","P 65","P 65","170","","","","- C58 H48 N4 O4 Ti -","- C58 H48 N4 O4 Ti -","- C348 H288 N24 O24 Ti6 -","6","1","","Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi","Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands","Inorganica Chimica Acta","2013","402","","140","155","","","","0.71073","MoKα","","0.0831","0.0622","","","0.1714","0.1882","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517848","38.5889","0.0017","38.5889","0.0017","6.4839","0.0003","90","","90","","120","","8361.6","0.6","173","0.1","173","0.1","","","","","","","","4","P 65","P 65","170","","","","- C27 H31 N2 O5 -","- C27 H31 N2 O5 -","- C324 H372 N24 O60 -","12","2","","Ma, Yunxia; Zhang, Gen; Zhang, Jinlong; Yang, Dongxu; Wang, Rui","Organocatalyzed Asymmetric Oxidative Coupling of α-Csp(3)-H of Tertiary Amines to α,β-Unsaturated γ-Butyrolactam: Synthesis of MBH-Type Products.","Organic letters","2014","16","20","5358","5361","10.1021/ol5025597","","","1.54184","CuKα","","0.106","0.0898","","","0.2453","0.2669","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519686","25.987","0.003","25.987","0.003","12.7789","0.0012","90","","90","","120","","7473.7","1.4","100.1","0.5","100.1","0.5","","","","","","","","5","P 65","P 65","170","","","","- C43 H59 Cl3 N4 O7 -","- C43 H59 Cl3 N4 O7 -","- C258 H354 Cl18 N24 O42 -","6","1","","Lim, Kuan-Hon; Raja, Vijay J.; Bradshaw, Tracey D.; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Ibogan, tacaman, and cytotoxic bisindole alkaloids from tabernaemontana. Cononusine, an iboga alkaloid with unusual incorporation of a pyrrolidone moiety.","Journal of natural products","2015","78","5","1129","1138","10.1021/acs.jnatprod.5b00117","","","0.71073","MoKα","","0.1952","0.1011","","","0.2296","0.2847","","","","","","1.183","","","","has coordinates","138269","2020-10-21","18:00:00",""
"1530237","7.0749","","7.0749","","17.8909","","90","","90","","120","","775.539","","","","","","","","","","","","","4","P 65","P 65","170","","Ba (N O2)2 (H2 O)","","- Ba H2 N2 O5 -","- Ba H2 N2 O5 -","- Ba6 H12 N12 O30 -","6","1","","Kvick, A.; Abrahams, S.C.; Liminga, R.","Neutron diffraction structural study of pyroelectric Ba (N O2)2 H2 O at 298, 102, and 20 K","Journal of Chemical Physics","1982","76","","5508","5514","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534351","11.4458","0.0002","11.4458","0.0002","27.7551","0.0005","90","","90","","120","","3148.95","0.1","293","2","293","2","","","","","","","","5","P 65","P 65","170","","Boc-L-Cys(Me)-L-Leu-OMe","","- C16 H30 N2 O5 S -","- C16 H30 N2 O5 S -","- C96 H180 N12 O30 S6 -","6","1","","Mazzier, Daniela; Carraro, Francesco; Crisma, Marco; Rancan, Marzio; Toniolo, Claudio; Moretto, Alessandro","A terminally protected dipeptide: from crystal structure and self-assembly, through co-assembly with carbon-based materials, to a ternary catalyst for reduction chemistry in water.","Soft matter","2015","12","1","238","245","10.1039/c5sm02189h","","","1.54178","CuKα","","0.0468","0.0403","","","0.104","0.1083","","","","","","1.042","","","","has coordinates","176211","2020-10-21","18:00:00",""
"1534397","13.8888","0.001","13.8888","0.001","25.754","0.004","90","","90","","120","","4302.3","0.8","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- C30 H25 Cl3 N2 S2 -","- C30 H25 Cl3 N2 S2 -","- C180 H150 Cl18 N12 S12 -","6","1","","Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke","2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior","Chem. Sci.","2016","7","1","451","","10.1039/C5SC03201F","","","0.71073","MoKα","","0.1269","0.0631","","","0.1294","0.1637","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534555","9.4914","","9.4914","","15.5825","","90","","90","","120","","1215.7","","","","","","","","","","","","","6","P 65","P 65","170","","((N H4)0.5 Co1.25 (H2 O)2) (B P2 O8) (H2 O)0.5","","- B Co1.25 H7 N0.5 O10.5 P2 -","- B Co1.25 N0.5 O10.5 P2 -","- B6 Co7.5 N3 O63 P12 -","6","1","","Schaefer, G.; Carrillo-Cabrera, W.; Schnelle, W.; Borrmann, H.; Kniep, R.","Synthesis and crystal structure of ((N H4)x Co3/2-x/2) (H2 O)2 (B P2 O8) * (1-x)(H2 O) (x = 0.5)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","289","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540580","26.2091","0.0005","26.2091","0.0005","6.7076","0.0005","90","","90","","120","","3990.3","0.3","123","2","123","2","","","","","","","","3","P 65","P 65","170","","","","- C34 H30 O2 -","- C34 H30 O2 -","- C204 H180 O12 -","6","1","","Kumar, Ravindra; Tokura, Hiromu; Nishimura, Akira; Mori, Tadashi; Hoshimoto, Yoichi; Ohashi, Masato; Ogoshi, Sensuke","Nickel(0)/N-Heterocyclic Carbene-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of Two Enones and an Alkyne: Access to Cyclohexenes with Four Contiguous Stereogenic Centers.","Organic letters","2015","17","24","6018","6021","10.1021/acs.orglett.5b02983","","","1.54187","CuKα","","0.0568","0.0451","","","0.0852","0.0892","","","","","","1.041","","","","has coordinates","173604","2020-10-21","18:00:00",""
"1543721","10.936","0.0004","10.936","0.0004","25.7965","0.0006","90","","90","","120","","2671.83","0.15","103.1","","103.1","","","","","","","","","3","P 65","P 65","170","","","","- C19 H20 O9 -","- C19 H20 O9 -","- C114 H120 O54 -","6","1","","Lai, Daowan; Wang, Ali; Cao, Yuheng; Zhou, Kaiyi; Mao, Ziling; Dong, Xuejiao; Tian, Jin; Xu, Dan; Dai, Jungui; Peng, Yu; Zhou, Ligang; Liu, Yang","Bioactive Dibenzo-α-pyrone Derivatives from the Endophytic FungusRhizopycnis vagumNitaf22","Journal of Natural Products","2016","","","","","10.1021/acs.jnatprod.6b00327","","","1.5418","CuKα","","0.0283","0.0281","","","0.0731","0.0733","","","","","","1.025","","","","has coordinates","184588","2020-10-21","18:00:00",""
"1544649","19.7793","0.0008","19.7793","0.0008","11.2095","0.0007","90","","90","","120","","3797.9","0.3","100","0.1","100","0.1","","","","","","","","4","P 65","P 65","170","","","","- C19 H35 N3 O7 -","- C19 H35 N3 O7 -","- C114 H210 N18 O42 -","6","1","","Paikar, Arpita; Pramanik, Apurba; Das, Tanmay; Haldar, Debasish","A self-assembled peptide mimetic of a tubular host and a supramolecular polymer","Polym. Chem.","2017","8","2","396","","10.1039/C6PY01955B","","x-ray","0.71073","MoKα","","0.0711","0.0591","","","0.1546","0.1625","","","","","","1.008","","","","has coordinates","191765","2020-10-21","18:00:00",""
"1546098","18.6492","0.0019","18.6492","0.0019","12.5645","0.0015","90","","90","","120","","3784.4","0.7","298","2","298","2","","","","","","","","3","P 65","P 65","170","","","","- C20 H30 O9 -","- C20 H30 O9 -","- C120 H180 O54 -","6","1","","Zhou, Lei; Tuo, Yali; Hao, Yi; Guo, Xiaoman; Tang, Wei; Xue, Yongbo; Zeng, Junfen; Zhou, Yu; Xiang, Ming; Zuo, Jianping; Yao, Guangmin; Zhang, Yonghui","Cinnamomols A and B, Immunostimulative Diterpenoids with a New Carbon Skeleton from the Leaves of Cinnamomum cassia.","Organic letters","2017","19","11","3029","3032","10.1021/acs.orglett.7b01323","","","1.54178","CuKα","","0.0312","0.0306","","","0.083","0.0837","","","","","","1.043","","","","has coordinates","197507","2020-10-21","18:00:00",""
"1546317","29.348","0.0019","29.348","0.0019","5.4131","0.0004","90","","90","","120","","4037.7","0.5","100","2","100","2","","","","","","","","6","P 65","P 65","170","","","","- C26 H34 Cl N O5 S -","- C26 H34 Cl N O5 S -","- C156 H204 Cl6 N6 O30 S6 -","6","1","","Al-Saffar, Firas M; Brown, Richard C. D.","A Two-Directional Synthesis of (+)-β-Isosparteine.","Organic letters","2017","19","13","3502","3504","10.1021/acs.orglett.7b01475","","x-ray","0.71075","MoKα","K-L~3~","0.2199","0.1018","","","0.207","0.2642","","","","","","1.005","","","","has coordinates,has disorder","200754","2020-10-21","18:00:00",""
"1546799","12.9639","0.0005","12.9639","0.0005","14.8451","0.0006","90","","90","","120","","2160.65","0.15","150","2","150","2","","","","","","","","4","P 65","P 65","170","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C96 H126 N6 O18 -","6","1","","Zhang, Zhi-Jun; Nian, Yin; Zhu, Qin-Feng; Li, Xiao-Nian; Su, Jia; Wu, Xing-De; Yang, Jian; Zhao, Qin-Shi","Lycoplanine A, a C16N Lycopodium Alkaloid with a 6/9/5 Tricyclic Skeleton from Lycopodium complanatum.","Organic letters","2017","19","17","4668","4671","10.1021/acs.orglett.7b02293","","","1.54178","CuKα","","0.0343","0.034","","","0.0864","0.0867","","","","","","1.061","","","","has coordinates","200725","2020-10-21","18:00:00",""
"1546956","10.1208","0.0001","10.1208","0.0001","37.134","0.0008","90","","90","","120","","3294.06","0.08","289","2","289","2","","","","","","","","3","P 65","P 65","170","","","","- C24 H36 O3 -","- C24 H36 O3 -","- C144 H216 O18 -","6","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; Dong, Yang-Yang; Hu, Xiao-Long; He, Qi-Wei; Zhang, Bao-Bao; Yan, Ming; Wang, Hao","Anti-inflammatory Meroterpenoids from Baeckea frutescens.","Journal of natural products","2017","80","8","2204","2214","10.1021/acs.jnatprod.7b00042","","","1.54184","CuKα","","0.0328","0.0323","","","0.0873","0.0883","","","","","","1.074","","","","has coordinates","200268","2020-10-21","18:00:00",""
"1547006","17.34103","0.00012","17.34103","0.00012","15.00551","0.0001","90","","90","","120","","3907.79","0.05","273","","273","","","","","","","","","6","P 65","P 65","170","","(S)-4-amino-2-(6-chloro-1-(3,3,4,4,4-pentafluorobutyl) -1H-indazol-3-yl)-5-methyl-5-phenyl-5,7-dihydro -6H-pyrrolo[2,3-d]pyrimidin-6-one","","- C24 H18 Cl F5 N6 O -","- C24 H18 Cl F5 N6 O -","- C144 H108 Cl6 F30 N36 O6 -","6","1","","Whitehead, Alan; Zhang, Yong; McCabe Dunn, Jamie; Sherer, Edward C.; Lam, Yu-Hong; Stelmach, John; Sun, Aaron; Shiroda, Melisa; Orr, Robert K.; Waddell, Sherman T.; Raghavan, Subharekha","Selective Formation of Functionalized α-Quaternary Malononitriles toward 5,5-Disubstituted Pyrrolopyrimidinones.","Organic letters","2017","19","17","4448","4451","10.1021/acs.orglett.7b01930","","x-ray","1.5418","CuKα","","0.0313","0.0288","","","0.0757","0.0769","","","","","","1.031","","","","has coordinates","200515","2020-10-21","18:00:00",""
"1547604","15.9119","0.0006","15.9119","0.0006","20.3939","0.0014","90","","90","","120","","4471.7","0.4","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C9 H7 F2 N O4 -","- C9 H7 F2 N O4 -","- C162 H126 F36 N18 O72 -","18","3","","Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo","Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect.","Organic letters","2017","19","20","5689","5692","10.1021/acs.orglett.7b02866","","","0.71073","MoKα","","0.102","0.079","","","0.2404","0.274","","","","","","0.993","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547860","26.4511","0.0004","26.4511","0.0004","11.7055","0.0002","90","","90","","120","","7092.64","0.19","200","2","200","2","","","","","","","","5","P 65","P 65","170","","","","- C30.16 H25.33 Cl0.33 N O2 -","- C30.167 H25.334 Cl0.334 N O2 -","- C362.004 H304.008 Cl4.008 N12 O24 -","12","2","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Michael-Aldol Condensation Reactions: Control of Six Stereocenters in a Quadruple-Cascade Asymmetric Synthesis of Polysubstituted Spirocyclic Oxindoles.","Organic letters","2017","19","22","6112","6115","10.1021/acs.orglett.7b02962","","","1.54178","CuKα","","0.0329","0.0315","","","0.0897","0.0915","","","","","","0.971","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1549804","9.9013","0.0009","9.9013","0.0009","28.981","0.002","90","","90","","120","","2460.5","0.4","223","2","223","2","","","","","","","","5","P 65","P 65","170","","2-Amino-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-1-ium chloride","","- C18 H18 Cl N3 O -","- C18 H18 Cl N3 O -","- C108 H108 Cl6 N18 O6 -","6","1","LH4038","Lee, Ji Hye; Koh, Dongsoo","2-Amino-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-1-ium chloride","IUCrData","2018","3","8","x181152","","10.1107/S2414314618011525","","","0.71073","MoKα","","0.0556","0.0395","","","0.0769","0.0828","","","","","","1.103","","","","has coordinates,has Fobs","209865","2020-10-21","18:00:00",""
"1550337","22.6855","0.0008","22.6855","0.0008","10.7563","0.0007","90","","90","","120","","4793.9","0.4","185","2","185","2","","","","","","","","6","P 65","P 65","170","","","","- C31 H38 Cl2 O5 P S -","- C31 H39 Cl2 O5 P S -","- C186 H234 Cl12 O30 P6 S6 -","6","1","","Xia, Jian; Zhang, Yixin; Hu, Xiaoqiang; Ma, Xin; Cui, Lei; Zhang, Jianfu; Jian, Zhongbao","Sterically very bulky aliphatic/aromatic phosphine-sulfonate palladium catalysts for ethylene polymerization and copolymerization with polar monomers","Polymer Chemistry","2019","10","4","546","","10.1039/C8PY01568F","","","0.71073","MoKα","","0.0623","0.0514","","","0.1419","0.1592","","","","","","0.934","","","","has coordinates","225338","2020-10-21","18:00:00",""
"1551356","9.2109","0.0004","9.2109","0.0004","76.327","0.003","90","","90","","120","","5608.1","0.4","100","2","100","2","","","","","","","","6","P 65","P 65","170","","","","- C36 H30 Cl2 F12 Mn N4 -","- C36 H30 Cl2 F12 Mn N4 -","- C216 H180 Cl12 F72 Mn6 N24 -","6","1","","Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White","Chemoselective methylene oxidation in aromatic molecules","Nature Chemistry","2019","11","","213","221","10.1038/s41557-018-0175-8","","","1.54178","CuKα","","0.0495","0.0493","","","0.1197","0.1199","","","","","","1.129","","","","has coordinates","215874","2020-10-21","18:00:00",""
"1553313","15.7712","0.0001","15.7712","0.0001","10.4612","0.0001","90","","90","","120","","2253.42","0.03","290","2","290","2","","","","","","","","3","P 65","P 65","170","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C84 H120 O24 -","6","1","","Li, Tian-Xiao; Liu, Rui-Huan; Wang, Xiao-Bing; Luo, Jun; Luo, Jian-Guang; Kong, Ling-Yi; Yang, Ming-Hua","Hypoxia-Protective Azaphilone Adducts from Peyronellaea glomerata.","Journal of natural products","2018","81","5","1148","1153","10.1021/acs.jnatprod.7b00663","","","1.54184","CuKα","","0.0564","0.0562","","","0.1869","0.187","","","","","","1.012","","","","has coordinates","234091","2020-10-21","18:00:00",""
"1554275","14.7018","0.0001","14.7018","0.0001","53.2893","0.0002","90","","90","","120","","9974.97","0.1","293","2","293","2","","","","","","","","3","P 65","P 65","170","","","","- C70 H84 O24 -","- C70 H84 O24 -","- C420 H504 O144 -","6","1","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","","1.54178","CuKα","","0.0736","0.0724","","","0.2119","0.2145","","","","","","1.026","","","","has coordinates,has disorder","237081","2020-10-21","18:00:00",""
"1554744","17.407","0.003","17.407","0.003","17.977","0.004","90","","90","","120","","4717.3","1.6","293","2","293","2","","","","","","","","4","P 65","P 65","170","","","","- C30 H43 N O7 -","- C30 H43 N O7 -","- C180 H258 N6 O42 -","6","1","","Xu, Pengfei; Luan, Hongyu; Yu, Bin; Tu, Yongrui; Sun, Yongqiang; Chen, Wei; Xu, Xi; Ge, Raoling; Wang, Jubo; Li, Zhiyu; Bian, Jinlei","Synthesis and characterization of potential stereoisomeric and degradation impurities of ulipristal acetate","Organic Chemistry Frontiers","2019","6","6","868","","10.1039/C9QO00144A","","","0.71073","MoKα","","0.2159","0.0896","","","0.1926","0.2444","","","","","","1.08","","","","has coordinates","238094","2020-10-21","18:00:00",""
"1555176","20.3875","0.0007","20.3875","0.0007","7.4174","0.0003","90","","90","","120","","2669.99","0.17","100","2","100","2","","","","","","","Fungal Co-culture of Epicoccum sp. and Armillaria sp.","3","P 65","P 65","170","","Epicorpenoid A","","- C18 H26 O6 -","- C18 H26 O6 -","- C108 H156 O36 -","6","1","","Li, Hong-Tao; Tang, Linhuan; Liu, Tao; Yang, Ruining; Yang, Yabin; Zhou, Hao; Ding, Zhong-Tao","Polyoxygenated meroterpenoids and a bioactive illudalane derivative from a co-culture of Armillaria sp. and Epicoccum sp.","Organic Chemistry Frontiers","2019","6","23","3847","","10.1039/C9QO01087D","","","1.54178","CuKα","","0.0256","0.0254","","","0.0844","0.0852","","","","","","0.831","","","","has coordinates","238369","2020-10-21","18:00:00",""
"1555367","10.2093","0.0001","10.2093","0.0001","30.4222","0.0003","90","","90","","120","","2746.08","0.05","295","2","295","2","","","","","","","","4","P 65","P 65","170","","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C108 H138 N6 O42 -","6","1","","N V G, Moorthy; Dyapa, Rajendar; Pansare, Sunil V.","Formal Synthesis of (+)-Lasubine II and (-)-Subcosine II via Organocatalytic Michael Addition of a Ketone to an α-Nitrostyrene.","Organic letters","2015","17","21","5312","5315","10.1021/acs.orglett.5b02677","","","1.54178","CuKα","","0.0321","0.0314","","","0.0911","0.0929","","","","","","1.075","","","","has coordinates,has disorder","238562","2020-10-21","18:00:00",""
"1555919","6.1726","0.0013","6.1726","0.0013","54.71","0.03","90","","90","","120","","1805.2","1.1","292.84","0.1","292.84","0.1","","","","","","","","4","P 65","P 65","170","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C90 H72 N12 O6 -","6","1","","Yuan, Bingxiang; Zhang, Fuming; Li, Zhuomei; Yang, Shenghua; Yan, Rulong","AgNO<sub>2</sub> as the NO Source for the Synthesis of Substituted Pyrazole N-Oxides from N-Propargylamines.","Organic letters","2016","18","22","5928","5931","10.1021/acs.orglett.6b03021","","x-ray","0.71","MoKα","","0.1409","0.1199","","","0.2033","0.2131","","","","","","1.106","","","","has coordinates","239244","2020-10-21","18:00:00",""
"1555920","6.1726","0.0013","6.1726","0.0013","54.71","0.03","90","","90","","120","","1805.2","1.1","293","2","293","2","","","","","","","","4","P 65","P 65","170","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C90 H72 N12 O6 -","6","1","","Yuan, Bingxiang; Zhang, Fuming; Li, Zhuomei; Yang, Shenghua; Yan, Rulong","AgNO<sub>2</sub> as the NO Source for the Synthesis of Substituted Pyrazole N-Oxides from N-Propargylamines.","Organic letters","2016","18","22","5928","5931","10.1021/acs.orglett.6b03021","","","0.71","MoKα","","0.1409","0.1199","","","0.2033","0.2131","","","","","","1.106","","","","has coordinates","239245","2020-10-21","18:00:00",""
"1556162","19.1393","0.0003","19.1393","0.0003","10.2697","0.0002","90","","90","","120","","3257.92","0.1","200","2","200","2","","","","","","","","3","P 65","P 65","170","","","","- C24 H22 O6 -","- C24 H22 O6 -","- C144 H132 O36 -","6","1","","Albertshofer, Klaus; Tan, Bin; Barbas, 3rd, Carlos F","Asymmetric construction of spirocyclopentenebenzofuranone core structures via highly selective phosphine-catalyzed [3 + 2] cycloaddition reactions.","Organic letters","2013","15","12","2958","2961","10.1021/ol401087a","","","1.54178","CuKα","","0.0381","0.0336","","","0.0789","0.0813","","","","","","1.064","","","","has coordinates","243516","2020-10-21","18:00:00",""
"1558399","6.8455","0.0009","6.8455","0.0009","21.807","0.005","90","","90","","120","","885","0.3","293","2","293","2","","","","","","","","4","P 65","P 65","170","Y(IO3)2F","Y(IO3)2F","","- F I2 O6 Y -","- F I2 O6 Y -","- F6 I12 O36 Y6 -","6","1","","Peng, Guang; Yang, Yi; Yan, Tao; Zhao, Dan; Li, Bing-Xuan; Zhang, Ge; Lin, Zheshuai; Ye, Ning","Helix-constructed Polar Rare-earth Iodate Fluoride as Laser Nonlinear Optical Multifunctional Materials","Chemical Science","2020","","","","","10.1039/D0SC02789H","","","0.71073","MoKα","","0.0515","0.0503","","","0.1078","0.1084","","","","","","1.108","","","","has coordinates","253386","2020-10-21","18:00:00",""
"1564160","12.2043","0.0003","12.2043","0.0003","76.2069","0.0017","90","","90","","120","","9829.9","0.4","150","2","150","2","","","","","","","","7","P 65","P 65","170","","","","- C64 H52 Cl2 Mo2 N2 O9 P2 -","- C64 H52 Cl2 Mo2 N2 O9 P2 -","- C384 H312 Cl12 Mo12 N12 O54 P12 -","6","1","","Mahmoudi, Hamed; Bagherzadeh, Mojtaba; Ataie, Saeed; Kia, Reza; Heydar Moravej, Seyed; Zare, Maryam; Raithby, Paul R.; Ferlin, Francesco; Vaccaro, Luigi","Synthesis and X-ray crystal structure of a Molybdenum(VI) Schiff base complex: Design of a new catalytic system for sustainable olefin epoxidation","Inorganica Chimica Acta","2020","511","","119775","","10.1016/j.ica.2020.119775","","","1.54184","CuKα","","0.0615","0.051","","","0.1127","0.1174","","","","","","1.029","","","","has coordinates,has disorder","267550","2021-07-15","08:18:35",""
"1564322","17.90824","0.00009","17.90824","0.00009","46.5216","0.0002","90","","90","","120","","12920.8","0.11","100","2","100.15","","","","","","","","","6","P 65","P 65","170","hybrid Foldamer-peptide macrocycle","","","- C54.26 H54 Ca0.75 N14 O39.41 S3 -","- C55 H57 Ca N14 O22 S3 -","- C330 H342 Ca6 N84 O132 S18 -","6","1","","Dengler, Sebastian; Mandal, Pradeep K.; Allmendinger, Lars; Douat, Céline; Huc, Ivan","Conformational interplay in hybrid peptide‒helical aromatic foldamer macrocycles","Chemical Science","2021","","","","","10.1039/D1SC03640H","","","0.8","Synchrotron","","0.126","0.1215","","","0.3408","0.3576","","","","","","1.714","","","","has coordinates","267947","2021-08-05","00:35:19",""
"1564370","17.0143","0.0005","17.0143","0.0005","23.529","0.001","90","","90","","120","","5898.8","0.4","193","2","193","2","","","","","","","","6","P 65","P 65","170","","","","- C29 H65 N3 O13 P3 Tb -","- C29 H65 N3 O13 P3 Tb -","- C174 H390 N18 O78 P18 Tb6 -","6","1","","Weng, Guo-Guo; Hong, Ben-Kun; Bao, Song-Song; Wen, Yujie; Wu, Lan-Qing; Huang, Xin-Da; Jia, Jia-Ge; Wen, Ge-Hua; Li, Shuhua; Peng, Luming; Zheng, Li-Min","From helix to superhelix: hierarchical assembly of homochiral van der Waals 1D coordination polymers","Chemical Science","2021","","","","","10.1039/D1SC01913A","","","0.71073","MoKα","","0.0295","0.0255","","","0.0574","0.0597","","","","","","1.039","","","","has coordinates","268125","2021-08-18","22:11:12",""
"1569428","21.8313","0.0006","21.8313","0.0006","11.5605","0.0004","90","","90","","120","","4771.6","0.2","255","","255","","","","","","","","","5","P 65","P 65","170","","","","- C35 H31 N3 O4 S -","- C35 H31 N3 O4 S -","- C210 H186 N18 O24 S6 -","6","1","","Zhu, Xiaohan; Mi, Ruijie; Yin, Jie; Wang, Fen; Li, Xingwei","Rhodium-catalyzed atroposelective access to trisubstituted olefins <i>via</i> C-H bond olefination of diverse arenes.","Chemical science","2023","14","29","7999","8005","10.1039/d3sc02714g","","","1.54178","CuKα","","0.0274","0.0268","","","0.071","0.0715","","","","","","1.053","","","","has coordinates","286024","2023-09-05","19:02:22",""
"2003474","15.273","0.001","15.273","0.001","27.399","0.003","90","","90","","120","","5535","0.8","293","2","150","1","","","","","","","Crystals were grown from ethyl acetate","5","P 65","P 65","170","","Benzyl 2-acetimido-4-azido-3-O-benzyl-6-O-(tert-butyldiphenylsilyl)- 2,4-dideoxy-β-D-glucopyranoside","","- C38 H42 N4 O6 Si -","- C38 H42 N4 O6 Si -","- C228 H252 N24 O36 Si6 -","6","1","LI1129","Barnes, J. C.; Field, R. A.","Benzyl 2-Acetamido-4-azido-3-<i>O</i>-benzoyl-6-<i>O</i>-(<i>tert</i>-butyldiphenylsilyl)-2,4-dideoxy-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","1995","51","5","1018","1020","10.1107/S0108270194012138","","","0.71069","MoKα","","0.0701","0.04","","0.1141","0.0919","","","","0.562","0.635","0.635","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005812","7.755","","7.755","","35.137","0.002","90","","90","","120","","1830.03","0.1","296","","","","","","","","","","","3","P 65","P 65","170","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C72 H120 O24 -","6","1","OA1006","Kiyotani, T.; Masuda, K.; Ageta, H.; Chakravarty, A. K.; Das, B.","Glycoric Acid, a New Degraded Carotenoid from <i>Glycosmis arborea</i>","Acta Crystallographica Section C","1996","52","12","3216","3217","10.1107/S0108270196010475","","","0.71073","MoKα","","","0.028","","","0.036","","","","","1.31","1.31","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007640","16.9681","0.001","16.9681","0.001","6.5473","0.0006","90","","90","","120","","1632.5","0.2","100","2","100","2","","","","","","","","3","P 65","P 65","170","","(2S,3R,5S)-3-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone Diethyl Ether Solvate","","- C10.48 H17.2 O2.12 -","- C10 H16 O2 -","- C60 H96 O12 -","6","1","LN1051","Lutz, Martin; Spek, Anthony L.","(2<i>S</i>,3<i>R</i>,5<i>S</i>)-3-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone 0.12-Diethyl Ether Solvate","Acta Crystallographica Section C","1998","54","9","1293","1295","10.1107/S0108270198003783","","","0.71073","MoKα","","0.0328","0.0301","","","","0.0836","","","","","","1.051","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2010341","9.936","0.001","9.936","0.001","52.27","0.01","90","","90","","120","","4469","1.1","293","1","293","1","","","","","","","","4","P 65","P 65","170","","(6aα,6bβ,12bβ,12cα)-6a,6b,12b,12c-tetrahydrocyclobuta[1,2-c:4,3-c'] bis[1]benzothiopyran-6,7-dione","","- C18 H12 O2 S2 -","- C18 H12 O2 S2 -","- C216 H144 O24 S24 -","12","2","SE1053","Kopf, Jürgen; Maelger, Harald; Thiemann, Carolin; Margaretha, Paul","(6aα,6bβ,12bβ,12cα)-6a,6b,12b,12c-Tetrahydrocyclobuta[1,2-<i>c</i>:4,3-<i>c</i>']di[1]benzothiopyran-6,7-dione","Acta Crystallographica Section C","1994","50","12","1922","1924","10.1107/S0108270194005482","","","1.54178","CuKα","","0.0784","0.0663","","0.21","0.1817","","","","1.045","0.996","0.996","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010996","8.7242","0.0003","8.7242","0.0003","37.102","0.003","90","","90","","120","","2445.6","0.2","295","2","295","2","","","","","","","","6","P 65","P 65","170","","diaqua(1,7-dioxa-4-thia-10-azacyclododecane)nickel(II) nitrate","","- C8 H21 N3 Ni O10 S -","- C8 H21 N3 Ni O10 S -","- C48 H126 N18 Ni6 O60 S6 -","6","1","FG1589","Marcus, Sebastian T.; Gahan, Lawrence R.; Bernhardt, Paul V.","The Ni^II^, Hg^II^ and Cu^II^ complexes of 12-membered-ring mixed-donor macrocycles","Acta Crystallographica Section C","2000","56","6","655","658","10.1107/S0108270100003942","","","0.71073","MoKα","","0.0504","0.0321","","","","0.0777","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014724","22.885","0.003","22.885","0.004","7.9582","0.0012","90","","90","","120","","3609.5","1","293","2","293","2","","","","","","","","3","P 65","P 65","170","","17-Oxo-5β-androstane-3α,4β-diyl diacetate","","- C23 H34 O5 -","- C23 H34 O5 -","- C138 H204 O30 -","6","1","SK1786","Andrade, L.C.R.; Paixão, J.A.; de Almeida, M.J.M.; Fernandes Roleira, F.M.; Tavares da Silva, E.J.","17-Oxo-5α-androstane-3α,4β-diyl diacetate and 17-oxo-5β-androstane-3α,4β-diyl diacetate","Acta Crystallographica Section C","2005","61","3","o131","o133","10.1107/S0108270104034250","","","0.71073","MoKα","","0.1164","0.0463","","","0.1184","0.1398","","","","","","0.871","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017833","23.0675","0.0003","23.0675","0.0003","21.716","0.0004","90","","90","","120","","10007.2","0.3","100","2","100","2","","","","","","","","4","P 65","P 65","170","","1,3,4-Triphenyl-7-(trifluoromethyl)-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline","","- C29 H18 F3 N3 -","- C29 H18 F3 N3 -","- C522 H324 F54 N54 -","18","3","GG3239","Szlachcic, Paweł; Jarosz, Bożena; Stadnicka, Katarzyna","1,3,4-Triphenyl-7-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline at 293 and 100K","Acta Crystallographica Section C","2010","66","9","o488","o492","10.1107/S010827011003297X","","","0.71073","MoKα","","0.0557","0.0439","","","0.0998","0.1049","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017834","23.2368","0.0003","23.2368","0.0003","22.1155","0.0003","90","","90","","120","","10341.4","0.2","293","2","293","2","","","","","","","","4","P 65","P 65","170","","1,3,4-Triphenyl-7-(trifluoromethyl)-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline","","- C29 H18 F3 N3 -","- C29 H18 F3 N3 -","- C522 H324 F54 N54 -","18","3","GG3239","Szlachcic, Paweł; Jarosz, Bożena; Stadnicka, Katarzyna","1,3,4-Triphenyl-7-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline at 293 and 100K","Acta Crystallographica Section C","2010","66","9","o488","o492","10.1107/S010827011003297X","","","0.71073","MoKα","","0.1076","0.0598","","","0.1408","0.1624","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2021263","15.1172","0.001","15.1172","0.001","28.034","0.004","90","","90","","120","","5548.3","0.9","296","2","296","2","","","","","","","","5","P 65","P 65","170","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']europium(III)]","","- C36 H25 Eu N6 O14 -","- C36 H25 Eu N6 O14 -","- C216 H150 Eu6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0412","0.0339","","","0.0825","0.0851","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021265","14.9855","0.0008","14.9855","0.0008","27.949","0.003","90","","90","","120","","5435.5","0.7","296","2","296","2","","","","","","","","5","P 65","P 65","170","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']gadolinium(III)]","","- C36 H25 Gd N6 O14 -","- C36 H25 Gd N6 O14 -","- C216 H150 Gd6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0566","0.0461","","","0.1222","0.1284","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021267","14.905","0.004","14.905","0.004","27.912","0.015","90","","90","","120","","5370","4","296","2","296","2","","","","","","","","5","P 65","P 65","170","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']dysprosium(III)]","","- C36 H25 Dy N6 O14 -","- C36 H25 Dy N6 O14 -","- C216 H150 Dy6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0713","0.052","","","0.1272","0.1347","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021269","14.9349","0.0017","14.9349","0.0017","27.969","0.003","90","","90","","120","","5402.7","1","296","2","296","2","","","","","","","","5","P 65","P 65","170","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']terbium(III)]","","- C36 H25 N6 O14 Tb -","- C36 H25 N6 O14 Tb -","- C216 H150 N36 O84 Tb6 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0605","0.049","","","0.1234","0.1287","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021618","7.8682","0.0003","7.8682","0.0003","52.555","0.003","90","","90","","120","","2817.7","0.2","120","2","120","2","","","","","","","","3","P 65","P 65","170","","Methyl α-<i>D</i>-mannopyranosyl-(1-3)-2-<i>O</i>-Acetyl-β-<i>D</i>-mannopyranoside monohydrate","","- C15 H28 O13 -","- C15 H28 O13 -","- C90 H168 O78 -","6","1","QS3082","Zhang, Wenhui; Wu, Qingquan; Oliver, Allen G.; Serianni, Anthony S.","Conformational analysis of the disaccharide methyl α-D-mannopyranosyl-(1→3)-2-O-acetyl-β-D-mannopyranoside monohydrate","Acta Crystallographica Section C Structural Chemistry","2019","75","6","","","10.1107/S2053229619004728","","","1.54184","CuKα","","0.0217","0.0217","","","0.0576","0.0576","","","","","","1.06","","","","has coordinates,has Fobs","215170","2020-10-21","18:00:00",""
"2101407","22.196","0.015","22.196","0.015","24.64","0.02","90","","90","","120","","10513","13","193","2","193","2","","","","","","","","5","P 65","P 65","170","Echinomycin.2QN","","","- C60.5 H86 N10 O17 S2 -","- C60.5 H86 N10 O17 S2 -","- C363 H516 N60 O102 S12 -","6","1","HE0091","Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J.","Structures of quinoxaline antibiotics","Acta Crystallographica Section B","1995","51","6","987","999","10.1107/S010876819401503X","","","1.5418","CuKα","","0.1176","0.0897","","0.2548","0.2259","","","","1.079","1.184","1.184","","","","","has coordinates,has disorder","194474","2020-10-21","18:00:00",""
"2101517","10.166","0.001","10.166","0.001","23.881","0.005","90","","90","","120","","2137.4","0.5","293","2","293","2","","","","","","","","4","P 65","P 65","170","","/b-sodium cobalt phosphate","","- Co Na O4 P -","- Co Na O4 P -","- Co24 Na24 O96 P24 -","24","4","BR0046","Hammond, R.; Barbier, J.","Structural chemistry of NaCoPO~4~","Acta Crystallographica Section B","1996","52","3","440","449","10.1107/S0108768195016259","","","0.56086","AgKα","","0.0768","0.0456","","0.0868","0.0794","","","","0.939","1.024","1.024","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2202181","9.8368","0.0008","9.8368","0.0008","42.455","0.005","90","","90","","120","","3557.7","0.6","293","2","293","2","","","","","","","","3","P 65","P 65","170","trilobolide-6-O-isobutyrate","","","- C23 H32 O9 -","- C23 H32 O9 -","- C138 H192 O54 -","6","1","TK6094","Xue-Song Huang; Ren-Wang Jiang; Vincent Eng-Choon Ooi","Trilobolide-6-<i>O</i>-isobutyrate, a eudesmanolide from <i>Wedelia trilobata</i>","Acta Crystallographica Section E","2003","59","6","o771","o772","10.1107/S1600536803009590","","","0.71073","MoKα","","0.066","0.051","","","0.141","0.153","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202218","11.3438","0.0017","11.3438","0.0017","19.665","0.004","90","","90","","120","","2191.5","0.6","150","2","150","2","","","","","","","","3","P 65","P 65","170","Trimesic acid triethyl ester","Triethyl benzene-1,3,5-tricarboxylate","","- C15 H18 O6 -","- C15 H18 O6 -","- C90 H108 O36 -","6","1","WN6156","Dale, Sophie H.; Elsegood, Mark R. J.","Triethyl benzene-1,3,5-tricarboxylate","Acta Crystallographica Section E","2003","59","6","o836","o837","10.1107/S1600536803010250","","","0.71073","MoKα","","0.0799","0.0425","","","0.0975","0.1224","","","","","","1.029","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2207317","12.1055","0.0014","12.1055","0.0014","26.939","0.005","90","","90","","120","","3418.8","0.8","173.1","","","","","","","","","","","5","P 65","P 65","170","","tert-Butoxycarbonyl-L-leucyl-L-alanine trichloroethyl ester","","- C16 H27 Cl3 N2 O5 -","- C16 H27 Cl3 N2 O5 -","- C96 H162 Cl18 N12 O30 -","6","1","OB6564","Oku, Hiroyuki; Endo, Teruya; Yamada, Keiichi; Katakai, Ryoichi","<i>tert</i>-Butoxycarbonyl-<small>L</small>-leucyl-<small>L</small>-alanine trichloroethyl ester (Boc-<small>L</small>-Leu-<small>L</small>-Ala-OTce)","Acta Crystallographica Section E","2005","61","11","o3864","o3866","10.1107/S160053680502636X","","","1.5418","CuKα","","","0.0428","","","","0.0789","","","","","","1.057","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207709","14.408","0.002","14.408","","21.63","0.004","90","","90","","120","","3888.6","0.9","295","2","295","2","","","","","","","","5","P 65","P 65","170","","catena-Poly[[[tris(pyridine-κN)copper(II)]-μ-3-carboxylatophenoxyacetato- κ^2^O^3^:O'] trihydrate]","","- C24 H27 Cu N3 O8 -","- C24 H27 Cu N3 O8 -","- C144 H162 Cu6 N18 O48 -","6","1","XU6084","Gao, Shan; Ng, Seik Weng","<i>catena</i>-Poly[[[tris(pyridine-κ<i>N</i>)copper(II)]-μ-3-carboxylatophenoxyacetato-κ^2^<i>O</i>^3^:<i>O</i>'] trihydrate]","Acta Crystallographica Section E","2005","61","12","m2696","m2698","10.1107/S1600536805038316","","","0.71073","MoKα","","0.097","0.073","","","0.138","0.146","","","","","","1.242","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209271","12.245","0.005","12.245","0.005","27.416","0.013","90","","90","","120","","3560","3","173.1","","","","","","","","","","","5","P 65","P 65","170","","tert-Butoxycarbonyl-L-Leucyll-L-Valine Trichloroethyl Ester (Boc-L-Leu-L-Val-OTce)","","- C18 H31 Cl3 N2 O5 -","- C18 H31 Cl3 N2 O5 -","- C108 H186 Cl18 N12 O30 -","6","1","OB2017","Oku, Hiroyuki; Endo, Teruya; Yamada, Keiichi; Katakai, Ryoichi","<i>tert</i>-Butoxycarbonyl-<small>L</small>-leucyl-<small>L</small>-valine trichloroethyl ester (Boc-<small>L</small>-Leu-<small>L</small>-Val-OTce)","Acta Crystallographica Section E","2006","62","6","o2347","o2349","10.1107/S1600536806017685","","","1.54187","CuKα","","","0.0347","","","","0.0869","","","","","","0.966","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2213452","15.6104","0.0003","15.6104","0.0003","12.434","0.0003","90","","90","","120","","2624.03","0.1","150","","150","","","","","","","","","3","P 65","P 65","170","","2,3:5,6-Di-<i>O</i>-isopropylidene-3,5-di-<i>C</i>-methyl-L-mannono-1,4- lactone","","- C14 H22 O6 -","- C14 H22 O6 -","- C84 H132 O36 -","6","1","LH2351","Booth, Kathrine V.; Jenkinson, Sarah F.; Fleet, George W. J.; Watkin, David J.","2,3:5,6-Di-<i>O</i>-isopropylidene-3,5-di-<i>C</i>-methyl-<small>L</small>-mannono-1,4-lactone","Acta Crystallographica Section E","2007","63","5","o2204","o2206","10.1107/S1600536807014584","","","0.71073","MoKα","","0.0469","0.0381","","0.1064","0.1024","0.1064","","","","","","0.9668","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217325","7.6239","0.001","7.6239","0.001","38.064","0.005","90","","90","","120","","1916","0.4","150","2","150","2","","","","","","","","3","P 65","P 65","170","","(+)-(1<i>S</i>,5<i>R</i>,10<i>S</i>)-11,11-dimethyl-4- oxatricyclo[8.4.0.0^1,5^]tetradecane-3,12-dione","","- C15 H22 O3 -","- C15 H22 O3 -","- C90 H132 O18 -","6","1","SQ2007","Gallucci, Judith C.; Inomata, Kohei; Dura, Robert D.; Paquette, Leo A.","(+)-(1<i>S</i>,5<i>R</i>,10<i>S</i>)-11,11-Dimethyl-4-oxatricyclo[8.4.0.0^1,5^]tetradecane-3,12-dione","Acta Crystallographica Section E","2008","64","1","o287","o287","10.1107/S1600536807066159","","","0.71073","MoKα","","0.0331","0.026","","","0.0549","0.0569","","","","","","1.058","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2232717","9.4119","0.0013","9.4119","0.0013","21.96","0.004","90","","90","","120","","1684.7","0.4","293","2","293","2","","","","","","","","6","P 65","P 65","170","","2-Trifluoromethyl-1<i>H</i>-benzimidazol-3-ium hydrogen sulfate","","- C8 H7 F3 N2 O4 S -","- C8 H7 F3 N2 O4 S -","- C48 H42 F18 N12 O24 S6 -","6","1","HB6491","Liu, Ming-Liang","2-Trifluoromethyl-1<i>H</i>-benzimidazol-3-ium hydrogen sulfate","Acta Crystallographica Section E","2011","67","12","o3473","","10.1107/S1600536811048811","","","0.71073","MoKα","","0.053","0.0522","","","0.1333","0.1339","","","","","","1.11","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2311167","13.2082","0.0018","13.2082","0.0018","23.584","0.004","90","","90","","120","","3563.2","0.9","296","2","296","2","","","","","","","","6","P 65","P 65","170","","5-Fluoro-<i>N</i>-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phenyl-1<i>H</i>-indole-2-carboxamide","","- C24 H24 F N3 O2 S -","- C24 H24 F N3 O2 S -","- C144 H144 F6 N18 O12 S6 -","6","1","QM2099","Celikesir, Sevim Türktekin; Akkurt, Mehmet; Ustündağ, Gökçe Cihan; Büyükgüngör, Orhan","5-Fluoro-N-(2-methyl-3-oxo-1-thia-4-aza-spiro-[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1229","","10.1107/S1600536813018576","","","0.71073","MoKα","","0.0701","0.0419","","","0.0911","0.1002","","","","","","0.958","","","","has coordinates","245639","2020-10-21","18:00:00",""
"4000104","9.483","0.004","9.483","0.004","15.697","0.005","90","","90","","120","","1222.5","0.8","293","2","293","2","","","","","","","","6","P 65","P 65","170","","","","- B Fe1.05 H0 N0.41 O10.59 P2 -","- B Fe1.051 N0.402 O10.598 P2 -","- B6 Fe6.306 N2.412 O63.588 P12 -","6","1","","Huang, Ya-Xi; Schäfer, Gerd; Carrillo-Carbrera, Wilder; Cardoso, Raul; Schnelle, Walter; Zhao, Jing-Tai; Kniep, Rüdiger","Open-Framework Borophosphates: (NH4)0.4Fe1.05(H2O)2[BP2O8]*0.6H2O and NH4Fe[BP2O8(OH)]","Chemistry of Materials","2001","","","","","","","","0.56087","AgKα","","0.0321","0.0261","","","0.062","0.0641","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001602","16.4176","0.0009","16.4176","","77.83","0.004","90","","90","","120","","18167.6","1.4","150","2","150","2","","","","","","","","6","P 65","P 65","170","","","","- C42.33 H52.67 Br Cl0.67 N O3 -","- C42 H52 Br N O3 -","- C756 H936 Br18 N18 O54 -","18","3","","Melville, James L.; Lovelock, Kevin R. J.; Wilson, Claire; Allbutt, Bryan; Burke, Edmund K.; Lygo, Barry; Hirst, Jonathan D.","Exploring Phase-Transfer Catalysis with Molecular Dynamics and 3D/4D Quantitative Structure−Selectivity Relationships","Journal of Chemical Information and Modeling","2005","45","4","971","","10.1021/ci050051l","","","0.71073","MoKα","","0.1964","0.0923","","","0.2454","0.2839","","","","","","0.968","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4003500","8.446","0.004","8.446","0.004","21.998","0.019","90","","90","","120","","1359","1.5","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- Cs K Mo O9 P2 -","- Cs K Mo O9 P2 -","- Cs6 K6 Mo6 O54 P12 -","6","1","","Baiheti, Tuohetijiang; Han, Shujuan; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie","Alignment of Polar Moieties Leading to Strong Second Harmonic Response in KCsMoP2O9","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00610","","","0.71073","MoKα","","0.028","0.0263","","","0.055","0.0563","","","","","","1.046","","","","has coordinates","249579","2020-10-21","18:00:00",""
"4003935","10.2757","0.0005","10.2757","0.0005","44.5409","0.0017","90","","90","","120","","4073","0.3","153","","153","","","","","","","","","4","P 65","P 65","170","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C192 H228 N12 O30 -","6","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0618","0.0432","","","0.0818","0.0918","","","","","","1.067","","","","has coordinates","265194","2021-05-13","22:35:20",""
"4003936","10.2919","0.0005","10.2919","0.0005","44.5234","0.0018","90","","90","","120","","4084.2","0.3","182","","182","","","","","","","","","4","P 65","P 65","170","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C192 H228 N12 O30 -","6","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0655","0.0421","","","0.0818","0.0953","","","","","","1.033","","","","has coordinates","265194","2021-05-13","22:35:20",""
"4003937","10.3118","0.0005","10.3118","0.0005","44.4991","0.0018","90","","90","","120","","4097.8","0.3","211","","211","","","","","","","","","4","P 65","P 65","170","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C192 H228 N12 O30 -","6","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0722","0.0457","","","0.0857","0.1003","","","","","","1.062","","","","has coordinates","265194","2021-05-13","22:35:21",""
"4003938","10.3327","0.0005","10.3327","0.0005","44.479","0.002","90","","90","","120","","4112.6","0.3","240","","240","","","","","","","","","4","P 65","P 65","170","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C192 H228 N12 O30 -","6","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0782","0.0467","","","0.0865","0.1022","","","","","","1.062","","","","has coordinates","265194","2021-05-13","22:35:21",""
"4003939","10.3565","0.0005","10.3565","0.0005","44.4604","0.0019","90","","90","","120","","4129.8","0.3","269","","269","","","","","","","","","4","P 65","P 65","170","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C192 H228 N12 O30 -","6","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0869","0.0489","","","0.0928","0.1119","","","","","","1.062","","","","has coordinates","265194","2021-05-13","22:35:21",""
"4003940","10.3834","0.0016","10.3834","0.0016","44.399","0.006","90","","90","","120","","4145.6","1.1","298","2","298","","","","","","","","","4","P 65","P 65","170","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C192 H228 N12 O30 -","6","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0963","0.0494","","","0.1008","0.1286","","","","","","1.065","","","","has coordinates","265194","2021-05-13","22:35:21",""
"4020326","9.1922","0.0007","9.1922","0.0007","29.597","0.003","90","","90","","120","","2165.8","0.3","100","2","100","2","","","","","","","","4","P 65","P 65","170","","","","- C15 H23 N O4 -","- C15 H23 N O4 -","- C90 H138 N6 O24 -","6","1","","Albert Padwa; John D. Ginn","","Journal of Organic Chemistry","2005","70","","5197","5206","10.1021/jo050515e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020550","11.8865","0.0012","11.8865","0.0012","26.52","0.005","90","","90","","120","","3245","0.8","193","2","193","2","","","","","","","","4","P 65","P 65","170","","","","- C19 H32 N2 O5 -","- C19 H32 N2 O5 -","- C114 H192 N12 O30 -","6","1","","Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño","(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study","Journal of Organic Chemistry","2005","70","","7963","7971","10.1021/jo0510843","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021662","9.841","0.0005","9.841","0.0005","22.1322","0.0013","90","","90","","120","","1856.24","0.17","293","2","293","2","","","","","","","","5","P 65","P 65","170","","R-2-Oxo-2-phenyl-benzo[c][1,2]thiazin-8-ol","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C84 H66 N6 O12 S6 -","6","1","","Michael Harmata; Nathan L. Calkins; Russell G. Baughman; Charles L. Barnes","New Chiral Benzothiazine Ligand and Its Use in the Synthesis of a Chiral Receptor","Journal of Organic Chemistry","2006","71","","3650","3652","10.1021/jo060175c","","","0.71073","MoKα","","0.0316","0.0273","","","0.0692","0.0712","","","","","","1.053","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022899","9.085","0.0009","9.085","0.0009","20.973","0.003","90","","90","","120","","1499.2","0.3","293","2","293","2","","","","","","","","5","P 65","P 65","170","","2-(2'-imidazolium)phenyl hydrogen phosphate","","- C9 H9 N2 O4 P -","- C9 H9 N2 O4 P -","- C54 H54 N12 O24 P6 -","6","1","","Tiago A. S. Brandão; Elisa S. Orth; Willian R. Rocha; Adailton J. Bortoluzzi; Clifford A. Bunton; Faruk Nome","Intramolecular General Acid Catalysis of the Hydrolysis of 2-(2'-Imidazolium)phenyl Phosphate, and Bond Length-Reactivity Correlations for Reactions of Phosphate Monoester Monoanions","Journal of Organic Chemistry","2007","72","","3800","3807","10.1021/jo070090r","","","0.71069","MoKα","","0.0454","0.0289","","","0.0671","0.0726","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023148","17.25","0.002","17.25","0.002","9.5313","0.0019","90","","90","","120","","2456.3","0.7","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C15 H18 Cl N O4 -","- C15 H18 Cl N O4 -","- C90 H108 Cl6 N6 O24 -","6","1","","Sanzhong Luo; Long Zhang; Xueling Mi; Yupu Qiao; Jin-Pei Cheng","Functionalized Chiral Ionic Liquid Catalyzed Enantioselective Desymmetrizations of Prochiral Ketones via Asymmetric Michael Addition Reaction","Journal of Organic Chemistry","2007","72","","9350","9352","10.1021/jo7020357","","","0.71073","MoKα","","0.14","0.0349","","","0.0569","0.0719","","","","","","0.549","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4024604","11.728","0.001","11.728","0.001","26.998","0.005","90","","90","","120","","3216","0.7","100","2","100","2","","","","","","","","4","P 65","P 65","170","","","","- C20 H30 N2 O4 -","- C20 H30 N2 O4 -","- C120 H180 N12 O24 -","6","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","x-ray","0.71073","MoKα","","0.1434","0.0774","","","0.1858","0.2375","","","","","","1.092","","","","has coordinates,has disorder","178425","2020-10-21","18:00:00",""
"4024606","12.1051","0.0006","12.1051","0.0006","27.288","0.003","90","","90","","120","","3462.8","0.5","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C20 H29 I N2 O4 -","- C20 H29 I N2 O4 -","- C120 H174 I6 N12 O24 -","6","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.1022","0.0598","","","0.0766","0.0873","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025255","22.7516","0.0009","22.7516","0.0009","10.9962","0.0006","90","","90","","120","","4929.4","0.4","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C29 H37 N3 O11 S -","- C29 H35 N3 O10 S -","- C174 H210 N18 O60 S6 -","6","1","","Hai Ma; Kun Liu; Fa-Guang Zhang; Chuan-Le Zhu; Jing Nie; Jun-An Ma","Chiral Bifunctional Thiourea-Catalyzed Enantioselective Michael Addition of Ketones to Nitrodienes","Journal of Organic Chemistry","2010","75","","1402","1409","10.1021/jo901991v","","","0.7107","MoKα","","0.0692","0.0623","","","0.179","0.1839","","","","","","1.151","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4026209","17.6766","0.0005","17.6766","0.0005","12.3407","0.0002","90","","90","","120","","3339.4","0.14","173","2","173","2","","","","","","","","6","P 65","P 65","170","","","","- C36 H66 Cl2 N4 O3 S2 -","- C36 H66 Cl2 N4 O3 S2 -","- C108 H198 Cl6 N12 O9 S6 -","3","0.5","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.1078","0.0653","","","0.1618","0.2121","","","","","","1.146","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4028628","19.3207","0.0008","19.3207","0.0008","8.1719","0.0005","90","","90","","120","","2641.8","0.2","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C19 H16 Br N3 O -","- C19 H16 Br N3 O -","- C114 H96 Br6 N18 O6 -","6","1","","Sandra Milosevic; Antonio Togni","Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines to Unsaturated Nitriles Catalyzed by NiII-Pigiphos","Journal of Organic Chemistry","2013","78","","9638","9646","10.1021/jo401247d","","","0.71073","MoKα","","0.0421","0.0328","","","0.0718","0.0742","","","","","","1.049","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4030600","17.4169","0.0007","17.4169","0.0007","13.7581","0.0005","90","","90","","120","","3614.4","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 65","P 65","170","sy1ja686b","","","- C24 H35 N3 O2 -","- C24 H35 N3 O2 -","- C144 H210 N18 O12 -","6","1","","Azuaje, Jhonny; Pérez-Rubio, José M; Yaziji, Vicente; El Maatougui, Abdelaziz; González-Gomez, José Carlos; Sánchez-Pedregal, V\?íctor M; Navarro-Vázquez, Armando; Masaguer, Christian F.; Teijeira, Marta; Sotelo, Eddy","Integrated Ugi-Based Assembly of Functionally, Skeletally, and Stereochemically Diverse 1,4-Benzodiazepin-2-ones.","The Journal of organic chemistry","2015","80","3","1533","1549","10.1021/jo502382q","","x-ray","0.71073","MoKα","","0.0522","0.0378","","","0.084","0.0898","","","","","","1.075","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4032168","10.0763","0.0004","10.0763","","46.527","0.002","90","","90","","120","","4091.1","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 65","P 65","170","","","","- C27 H31 F6 N2 P -","- C27 H31 F6 N2 P -","- C162 H186 F36 N12 P6 -","6","1","","Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc","Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.","The Journal of organic chemistry","2017","82","4","1880","1887","10.1021/acs.joc.6b02888","","x-ray","0.71073","MoKα","","0.066","0.0517","","","0.1318","0.1392","","","","","","1.056","","","","has coordinates","193566","2020-10-21","18:00:00",""
"4032650","14.7787","0.0004","14.7787","0.0004","7.6213","0.0002","90","","90","","120","","1441.56","0.07","150","","150","","","","","","","","local","3","P 65","P 65","170","","","","- C10 H12 O2 -","- C10 H12 O2 -","- C60 H72 O12 -","6","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.048","0.045","","0.111","0.1099","0.111","","","","","","1.0274","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032677","11.4848","0.0005","11.4848","0.0005","28.4095","0.0015","90","","90","","120","","3245.2","0.3","223","2","223","2","","","","","","","","6","P 65","P 65","170","","","","- C22 H20 Br N O6 S -","- C22 H20 Br N O6 S -","- C132 H120 Br6 N6 O36 S6 -","6","1","","Kim, Hanna; Kim, Yerin; Kim, Sung-Gon","Organocatalytic Asymmetric Mannich/Aza-Michael Cascade Reaction of δ-Formyl-α,β-unsaturated Ketones with Cyclic N-Sulfimines: Enantioselective Synthesis of Benzosulfamidate-Fused Pyrrolidines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01533","","","0.71073","MoKα","","0.0542","0.0303","","","0.0554","0.0616","","","","","","1.034","","","","has coordinates","199347","2020-10-21","18:00:00",""
"4033282","15.6496","0.0001","15.6496","0.0001","28.7595","0.0003","90","","90","","120","","6099.84","0.08","294","2","294.15","","","","","","","","","4","P 65","P 65","170","","","","- C39 H43 N O4 -","- C39 H43 N O4 -","- C234 H258 N6 O24 -","6","1","","Zhang, Zhi-Pei; Xie, Kai-Xue; Yang, Chen; Li, Man; Li, Xin","Asymmetric Synthesis of Dihydrocoumarins through Chiral Phosphoric Acid Catalyzed Cycloannulation of para-Quinone Methides and Azlactones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02750","","x-ray","1.54184","CuKα","","0.0572","0.0542","","","0.1594","0.1636","","","","","","1.083","","","","has coordinates,has disorder","204297","2020-10-21","18:00:00",""
"4033856","15.6307","0.0001","15.6307","0.0001","12.5351","0.0001","90","","90","","120","","2652.26","0.03","100","0.1","100","0.1","","","","","","","","3","P 65","P 65","170","","2a-hydroxy-10e-methyl-1a,2,2a,3,4,4a,4b,5,6,9,10,10c,10d,10e-tetradecahydrocyclobuta[3,4]cyclopenta[1,7]indeno[5,6-a]naphthalen-8(1H)-one hydrate","","- C21 H27 O2.5 -","- C21 H27 O2.5 -","- C126 H162 O15 -","6","1","","Pflug, Nicholas C.; Patterson, Eric V.; Martinović-Weigelt, Dalma; Kolodziej, Edward P.; Gloer, James B.; McNeill, Kristopher; Cwiertny, David M.; Wammer, Kristine H.","Intramolecular [2 + 2] Photocycloaddition of Altrenogest: Confirmation of Product Structure, Theoretical Mechanistic Insight, and Bioactivity Assessment.","The Journal of organic chemistry","2019","84","17","11366","11371","10.1021/acs.joc.9b02070","","","1.54184","CuKα","","0.0352","0.0349","","","0.0945","0.0948","","","","","","1.052","","","","has coordinates,has disorder","222433","2020-10-21","18:00:00",""
"4035636","10.6537","0.0001","10.6537","0.0001","29.4663","0.0004","90","","90","","120","","2896.39","0.05","123","2","123","2","","","","","","","","3","P 65","P 65","170","","","","- C19 H30 O5 -","- C19 H30 O5 -","- C114 H180 O30 -","6","1","","Takagi, Ryukichi; Fujii, Emi; Kondo, Hirotoshi","Enantioselective Michael Reaction of Cyclic β-Ketoesters with Morita-Baylis-Hillman Derivatives Using a Phase-Transfer Catalyst.","The Journal of organic chemistry","2018","83","18","11191","11203","10.1021/acs.joc.8b01777","","","0.71073","MoKa","","0.0501","0.0457","","","0.1028","0.1053","","","","","","0.945","","","","has coordinates","227085","2020-10-21","18:00:00",""
"4036618","21.353","0.003","21.353","0.003","5.8048","0.001","90","","90","","120","","2292.1","0.6","150","","150","","","","","","","","local","3","P 65","P 65","170","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C90 H156 O12 -","6","1","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.1028","0.0812","","0.1901","0.1771","0.1901","","","","","","1.0243","","","","has coordinates","234970","2020-10-21","18:00:00",""
"4037193","20.0572","0.0001","20.0572","0.0001","26.9244","0.0001","90","","90","","120","","9380.31","0.07","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C60 H75 N2 O6 -","- C60 H75 N2 O6 -","- C360 H450 N12 O36 -","6","1","","Xu, Wen-Qiang; Liu, Wen-Shan; Yan, Jiu-Xing; Ma, Shi-Kun; Guo, Jing; Liu, Jun-Min; Wang, Run-Ling; Li, Shao-Yong","An Approach to Optically Pure Bridging Chiral p-tert-Butylcalix[4]arenes through a Homologous Anionic Ortho-Fries Rearrangement.","The Journal of organic chemistry","2016","81","22","10683","10687","10.1021/acs.joc.6b01682","","","1.54178","CuKα","","0.0422","0.041","","","0.1158","0.1172","","","","","","1.043","","","","has coordinates,has disorder","235781","2020-10-21","18:00:00",""
"4037415","27.8709","0.0006","27.8709","0.0006","5.9519","0.0002","90","","90","","120","","4003.95","0.18","293","2","293","1","","","","","","","","4","P 65","P 65","170","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C156 H168 N24 O36 -","6","1","","Pušavec Kirar, Eva; Grošelj, Uroš; Golobič, Amalija; Požgan, Franc; Pusch, Stefan; Weber, Carina; Andernach, Lars; Štefane, Bogdan; Opatz, Till; Svete, Jurij","Absolute Configuration Determination of 2,3-Dihydro-1H,5H-pyrazolo[1,2-a]pyrazoles Using Chiroptical Methods at Different Wavelengths.","The Journal of organic chemistry","2016","81","23","11802","11812","10.1021/acs.joc.6b02270","","","1.5418","CuKα","","0.0421","0.0374","","","0.1147","0.1192","","","","","","1.104","","","","has coordinates","236110","2020-10-21","18:00:00",""
"4037578","9.9188","0.0002","9.9188","0.0002","74.552","0.002","90","","90","","120","","6352","0.2","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- C25 H21 F3 N2 O -","- C25 H21 F3 N2 O -","- C300 H252 F36 N24 O12 -","12","2","","Wang, Xin-Wei; Chen, Mu-Wang; Wu, Bo; Wang, Baomin; Zhou, Yong-Gui","Chiral Phosphoric Acid-Catalyzed Synthesis of Fluorinated 5,6-Dihydroindolo[1,2- c]quinazolines with Quaternary Stereocenters.","The Journal of organic chemistry","2019","84","12","8300","8308","10.1021/acs.joc.9b00985","","","1.54178","CuKα","","0.0602","0.0432","","","0.0969","0.1092","","","","","","1.041","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4038862","24.0111","0.0015","24.0111","0.0015","22.65","0.002","90","","90","","120","","11309","1.4","100","2","100","2","","","","","","","","3","P 65","P 65","170","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C450 H480 O90 -","30","5","","Kleiner, Yolanda; Hammann, Peter; Becker, Jonathan; Bauer, Armin; Pöverlein, Christoph; Schuler, Sören M M","Total Synthesis and Structure Revision of (-)-Avicennone C.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01792","","","1.54178","CuKα","","0.0851","0.0696","","","0.1835","0.1986","","","","","","1.041","","","","has coordinates,has disorder","256960","2020-10-21","18:00:00",""
"4060737","29.934","0.006","29.934","0.006","11.858","0.005","90","0.001","90","0.001","120","0.001","9202","5","293","2","293","2","","","","","","","","6","P 65","P 65","170","","","","- C56 H51 I O P2 Pd -","- C56 H51 I O P2 Pd -","- C336 H306 I6 O6 P12 Pd6 -","6","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060744","13.0281","0.0005","13.0281","0.0005","56.9568","0.0022","90","","90","","120","","8372.2","0.6","173","","173","","","","","","","","","7","P 65","P 65","170","","","","- C51 H44 B F24 O P Pd -","- C51 H44 B F24 O P Pd -","- C306 H264 B6 F144 O6 P6 Pd6 -","6","1","","","","Organometallics","2003","","","","","","","","","","","","0.063","","","0.075","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061862","8.993","0.001","8.993","0.001","43.19","0.004","90","","90","","120","","3025","0.5","298.2","","298.2","","","","","","","","","5","P 65","P 65","170","","","","- C12 H5 N O12 Os4 -","- C12 H5 N O12 Os4 -","- C72 H30 N6 O72 Os24 -","6","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4064022","17.864","0.002","17.864","0.002","12.492","0.0018","90","","90","","120","","3452.4","0.7","200","2","200","2","","","","","","","","5","P 65","P 65","170","","","","- C22 H27 N2 S Ta -","- C22 H27 N2 S Ta -","- C132 H162 N12 S6 Ta6 -","6","1","","Fandos, Rosa; Fernández-Gallardo, Jacob; Otero, Antonio; Rodríguez, Ana; Ruiz, María José","Tantalum Complexes Containing a Tridentate [NSN]-Type Ligand: Unusual Reactivity of a Dihydride Complex with an Isocyanide to Give an Azatantallaziridine Moiety","Organometallics","2011","30","6","1551","","10.1021/om101086c","","","0.71073","MoKα","","0.0892","0.0495","","","0.083","0.0927","","","","","","0.879","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4065809","16.316","0.0007","16.316","0.0007","19.1731","0.0017","90","","90","","120","","4420.3","0.5","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C26 H48.667 Cl Ir P2 -","- C26.04 H48.76 Cl Ir P2 -","- C156.24 H292.56 Cl6 Ir6 P12 -","6","1","","Punji, Benudhar; Emge, Thomas J.; Goldman, Alan S.","A Highly Stable Adamantyl-Substituted Pincer-Ligated Iridium Catalyst for Alkane Dehydrogenation","Organometallics","2010","29","12","2702","","10.1021/om100145q","","","0.71073","MoKα","","0.0451","0.0362","","","0.085","0.0895","","","","","","1.013","","","","has coordinates,has disorder","178551","2020-10-21","18:00:00",""
"4067126","20.232","0.0003","20.232","","10.5999","0.0002","90","","90","","120","","3757.6","0.09","103","2","103","2","","","","","","","","8","P 65","P 65","170","","","","- C24 H27 Cl Fe I N2 O P -","- C24 H27 Cl Fe I N2 O P -","- C144 H162 Cl6 Fe6 I6 N12 O6 P6 -","6","1","","Yu, Insun; Wallis, Christopher J.; Patrick, Brian O.; Diaconescu, Paula L.; Mehrkhodavandi, Parisa","Phosphine-Tethered Carbene Ligands: Template Synthesis and Reactivity of Cyclic and Acyclic Functionalized Carbenes","Organometallics","2010","29","22","6065","","10.1021/om100841j","","","0.71073","MoKα","","0.0225","0.0207","","","0.0603","0.0611","","","","","","1.176","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4073224","11.6131","0.0018","11.6131","0.0018","20.469","0.007","90","","90","","120","","2390.7","1","233","2","233","2","","","","","","","","4","P 65","P 65","170","","","","- C17 H21 Cl N2 -","- C17 H21 Cl N2 -","- C102 H126 Cl6 N12 -","6","1","","Bazinet, Patrick; Ong, Tiow-Gan; O'Brien, Julie S.; Lavoie, Nathalie; Bell, Eleanor; Yap, Glenn P. A.; Korobkov, Ilia; Richeson, Darrin S.","Design of Sterically Demanding, Electron-Rich Carbene Ligands with the Perimidine Scaffold","Organometallics","2007","26","11","2885","","10.1021/om0701827","","","0.71073","MoKα","","0.1271","0.0604","","","0.1274","0.1503","","","","","","1.012","","","","has coordinates","178621","2020-10-21","18:00:00",""
"4073409","12.6647","0.0006","12.6647","0.0006","32.45","0.003","90","","90","","120","","4507.5","0.5","163","2","163","2","","","","","","","","4","P 65","P 65","170","","","","- C32 H40 S2 Th -","- C32 H40 S2 Th -","- C192 H240 S12 Th6 -","6","1","","Evans, William J.; Miller, Kevin A.; Kozimor, Stosh A.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Actinide Hydride Complexes as Multielectron Reductants: Analogous Reduction Chemistry from [(C5Me5)2UH]2, [(C5Me5)2UH2]2, and [(C5Me5)2ThH2]2","Organometallics","2007","26","14","3568","","10.1021/om7003139","","","0.71073","MoKα","","0.0279","0.0235","","","0.0454","0.0462","","","","","","1.102","","","","has coordinates","178623","2020-10-21","18:00:00",""
"4077862","16.8728","0.0005","16.8728","0.0005","11.2567","0.0002","90","","90","","120","","2775.34","0.13","200","","200","","","","","","","","?","4","P 65","P 65","170","","","","- C22 H16 As I -","- C22 H16 As I -","- C132 H96 As6 I6 -","6","1","","Kilah, Nathan L.; Wild, S. Bruce","Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion","Organometallics","2012","31","7","2658","","10.1021/om200853d","","","0.71073","MoKα","","0.0423","0.0285","","0.0339","0.0301","0.0301","","","","","","1.0007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077863","16.776","0.0004","16.776","0.0004","11.0926","0.0002","90","","90","","120","","2703.59","0.1","200","","200","","","","","","","","?","4","P 65","P 65","170","","","","- C22 H16 As Cl -","- C22 H16 As Cl -","- C132 H96 As6 Cl6 -","6","1","","Kilah, Nathan L.; Wild, S. Bruce","Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion","Organometallics","2012","31","7","2658","","10.1021/om200853d","","","0.71073","MoKα","","0.0492","0.0382","","0.0479","0.0423","0.0423","","","","","","1.0032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078236","13.3377","0.0003","13.3377","0.0003","48.755","0.002","90","","90","","120","","7511.2","0.4","294","2","294","2","","","","","","","","6","P 65","P 65","170","","","","- C47 H30 Au2 Ir4 O11 P2 -","- C47 H30 Au2 Ir4 O11 P2 -","- C282 H180 Au12 Ir24 O66 P12 -","6","1","","Adams, Richard D.; Chen, Mingwei; Yang, Xinzheng","Iridium‒Gold Cluster Compounds: Syntheses, Structures, and an Unusual Ligand-Induced Skeletal Rearrangement","Organometallics","2012","31","9","3588","","10.1021/om3001026","","","0.71073","MoKα","","0.061","0.0519","","","0.1146","0.1187","","","","","","1.058","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078930","13.446","0.001","13.446","0.001","66.635","0.007","90","","90","","120","","10433.2","1.6","100","2","100","2","","","","","","","","7","P 65","P 65","170","","","","- C65 H88 F6 O7 P4 Pd S2 -","- C65 H88 F6 O7 P4 Pd S2 -","- C390 H528 F36 O42 P24 Pd6 S12 -","6","1","","Chapp, Timothy W.; Schoenfeld, Adam J.; Sanderson, Matthew D.; Chang, Cory L.; Glueck, David S.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.","Synthesis, Structure, Dynamics, and Selective Methylation of Platinum and Palladium Diphosphametallacyclobutane Complexes","Organometallics","2012","31","15","5573","","10.1021/om3005367","","","1.54178","CuKα","","0.0534","0.0496","","","0.1317","0.1344","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079068","23.4373","0.0005","23.4373","0.0005","7.65","0.0001","90","","90","","120","","3639.21","0.12","223","2","223","2","","","","","","","","5","P 65","P 65","170","","","","- C19 H28 Fe O3 Si2 -","- C19 H28 Fe O3 Si2 -","- C114 H168 Fe6 O18 Si12 -","6","1","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.0653","0.0581","","","0.1526","0.1585","","","","","","1.063","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4081841","20.5199","0.0014","20.5199","0.0014","11.4954","0.001","90","","90","","120","","4191.8","0.5","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C31 H32 Cl N2 Rh -","- C31 H32 Cl N2 Rh -","- C186 H192 Cl6 N12 Rh6 -","6","1","","Féghali, Elias; Barloy, Laurent; Issenhuth, Jean-Thomas; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Cyclometalation of (2R,5R)-2,5-Diphenylpyrrolidine and 2-Phenyl-2-imidazoline Ligands with Half-Sandwich Iridium(III) and Rhodium(III) Complexes","Organometallics","2013","32","21","6186","","10.1021/om400626m","","","0.71073","MoKα","","0.16","0.1099","","","0.1575","0.1716","","","","","","1.116","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081846","20.5199","0.0014","20.5199","0.0014","11.4954","0.001","90","","90","","120","","4191.8","0.5","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C31 H32 Cl N2 Rh -","- C31 H32 Cl N2 Rh -","- C186 H192 Cl6 N12 Rh6 -","6","1","","Barloy, Laurent; Féghali, Elias; Henry, Marc; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Serendipitous Self-Assembly of Cyclometalated Complexes through Hydrogen Bonds: Dimers or Chains within Compact or Porous Networks","Organometallics","2013","32","21","6195","","10.1021/om400627v","","","0.71073","MoKα","","0.16","0.1099","","","0.1575","0.1716","","","","","","1.116","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4082841","17.8432","0.001","17.8432","0.001","16.0496","0.001","90","","90","","120","","4425.3","0.4","193","2","193","2","","","","","","","synthesis as described","6","P 65","P 65","170","","","","- C27 H38 Cl2 N2 O3 Pd -","- C27 H38 Cl2 N2 O3 Pd -","- C162 H228 Cl12 N12 O18 Pd6 -","6","1","","Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Teuma, Emmanuelle; Gómez, Montserrat","Heteropolymetallic Complexes Linked to a 9,10-Dihydroanthracenyl Frame. Ruthenium as Active Spectator for Palladium Reactivity","Organometallics","2014","33","7","1812","","10.1021/om5001502","","x-ray","0.71073","MoKα","","0.0845","0.0444","","","0.0896","0.1065","","","","","","1.058","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4085909","20.6241","0.0004","20.6241","0.0004","17.184","0.0004","90","","90","","120","","6330","0.2","100","2","100","2","","","","","","","","7","P 65","P 65","170","","","","- C27 H39.75 Cl0.75 F3.75 Fe0.75 N2.25 P1.5 -","- C27 H39.75 Cl0.75 F3.75 Fe0.75 N2.25 P1.5 -","- C216 H318 Cl6 F30 Fe6 N18 P12 -","8","1.33333","","Liu, Tianbiao; Liao, Qian; O’Hagan, Molly; Hulley, Elliott B.; DuBois, Daniel L.; Bullock, R. Morris","Iron Complexes Bearing Diphosphine Ligands with Positioned Pendant Amines as Electrocatalysts for the Oxidation of H2","Organometallics","2015","34","12","2747","","10.1021/om501289f","","","0.71073","MoKα","","0.0552","0.0528","","","0.145","0.1465","","","","","","1.04","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4087445","13.4441","0.0002","13.4441","0.0002","49.8415","0.001","90","","90","","120","","7801.6","0.2","103","2","103","2","","","","","","","","6","P 65","P 65","170","","","","- C56 H59 I O4 P2 Pd -","- C56 H59 I O4 P2 Pd -","- C336 H354 I6 O24 P12 Pd6 -","6","1","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Versatile Syntheses of Optically Pure PCE Pincer Ligands: Facile Modifications of the Pendant Arms and Ligand Backbones","Organometallics","2015","34","8","1582","","10.1021/acs.organomet.5b00132","","","0.71073","MoKα","","0.0274","0.0259","","","0.0547","0.0553","","","","","","1.07","","","","has coordinates,has disorder","236800","2020-10-21","18:00:00",""
"4101211","10.316","0.001","10.316","0.001","32.838","0.006","90","","90","","120","","3026.4","0.7","299","2","299","2","","","","","","","","4","P 65","P 65","170","","","","- C18 H33 N O4 -","- C18 H33 N O4 -","- C108 H198 N6 O24 -","6","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101259","18.138","0.002","18.138","0.002","6.163","0.001","90","","90","","120","","1755.9","0.4","293","2","293","2","","","","","","","","4","P 65","P 65","170","Leu-Ser","L-Leucyl-L-Serine","","- C9 H18 N2 O4 -","- C9 H18 N2 O4 -","- C54 H108 N12 O24 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.0303","0.0289","","","0.0803","0.0815","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105169","24.3673","0.0009","24.3673","0.0009","10.6844","0.0013","90","","90","","120","","5494.1","0.7","293","2","293","2","","","","","","","","4","P 65","P 65","170","Boc-D-Pro-Aib-Leu-Aib-Val-OMe","t-Butyloxycarbonyl-D-prolyl-alpha-aminoisobutyryl-leucyl -alpha-aminoisobutyryl-valyl-methyl ester","","- C30 H53 N5 O8 -","- C30 H53 N5 O8 -","- C180 H318 N30 O48 -","6","1","","Upadhyayula S. Raghavender; Subrayashastry Aravinda; Narayanaswamy Shamala; Rajkishor Rai; Padmanabhan Balaram","Characterization of Water Wires inside Hydrophobic Tubular Peptide Structures","Journal of the American Chemical Society","2009","131","","15130","15132","10.1021/ja9038906","","","0.71073","MoKα","","0.2226","0.0671","","","0.1446","0.2053","","","","","","0.932","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105170","24.292","0.0013","24.292","0.0013","10.4838","0.0011","90","","90","","120","","5357.7","0.7","293","2","293","2","","","","","","","","4","P 65","P 65","170","Boc-D-Pro-Aib-Val-Aib-Val-OMe","t-Butyloxycarbonyl-D-prolyl-alpha-aminoisobutyryl-valyl -alpha-aminoisobutyryl-valyl-methyl ester","","- C29 H51 N5 O9 -","- C29 H51 N5 O9 -","- C174 H306 N30 O54 -","6","1","","Upadhyayula S. Raghavender; Subrayashastry Aravinda; Narayanaswamy Shamala; Rajkishor Rai; Padmanabhan Balaram","Characterization of Water Wires inside Hydrophobic Tubular Peptide Structures","Journal of the American Chemical Society","2009","131","","15130","15132","10.1021/ja9038906","","","0.71073","MoKα","","0.0715","0.0554","","","0.1546","0.1765","","","","","","0.88","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105171","24.3161","0.0003","24.3161","0.0003","10.4805","0.0001","90","","90","","120","","5366.62","0.11","293","2","293","2","","","","","","","","4","P 65","P 65","170","Boc-D-Pro-Aib-Val-Aib-Val-OMe","t-Butyloxycarbonyl-D-prolyl-alpha-aminoisobutyryl-valyl -alpha-aminoisobutyryl-valyl-methyl ester","","- C29 H51 N5 O8.17 -","- C29 H51 N5 O8.17 -","- C174 H306 N30 O49.02 -","6","1","","Upadhyayula S. Raghavender; Subrayashastry Aravinda; Narayanaswamy Shamala; Rajkishor Rai; Padmanabhan Balaram","Characterization of Water Wires inside Hydrophobic Tubular Peptide Structures","Journal of the American Chemical Society","2009","131","","15130","15132","10.1021/ja9038906","","","1.54178","CuKα","","0.0637","0.0617","","","0.1844","0.1855","","","","","","1.039","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105219","19.943","0.006","19.943","0.006","10.142","0.004","90","","90","","120","","3493","2","100","2","100","2","","","","","","","","6","P 65","P 65","170","","","","- C23 H23 Br N2 O P -","- C23 H23 Br N2 O P -","- C138 H138 Br6 N12 O6 P6 -","6","1","","Joshua P. Abell; Hisashi Yamamoto","Dual-Activation Asymmetric Strecker Reaction of Aldimines and Ketimines Catalyzed by a Tethered Bis(8-quinolinolato) Aluminum Complex","Journal of the American Chemical Society","2009","131","","15118","15119","10.1021/ja907268g","","","0.71073","MoKα","","0.0702","0.0482","","","0.1082","0.1138","","","","","","0.917","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105512","15.97","0.0003","15.97","0.0003","19.09","0.0005","90","","90","","120","","4216.44","0.16","173","1","173","1","","","","","","","","7","P 65","P 65","170","","","","- C29 H29 Cl N O5 P S -","- C29 H28 Cl N O5 P S -","- C174 H168 Cl6 N6 O30 P6 S6 -","6","1","","Shuichi Nakamura; Masashi Hayashi; Yuichi Hiramatsu; Norio Shibata; Yasuhiro Funahashi; Takeshi Toru","Catalytic Enantioselective Hydrophosphonylation of Ketimines Using Cinchona Alkaloids","Journal of the American Chemical Society","2009","131","","18240","18241","10.1021/ja908940e","","","0.7107","MoKα","","","0.0523","","","","0.1556","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106673","10.7895","0.0005","10.7895","0.0005","72.85","0.007","90","","90","","120","","7344.5","0.9","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C52 H78 N8 O2 -","- C52 H78 N8 O2 -","- C312 H468 N48 O12 -","6","1","","Shunxi Dong; Xiaohua Liu; Xiaohong Chen; Fang Mei; Yulong Zhang; Bo Gao; Lili Lin; Xiaoming Feng","Chiral Bisguanidine-Catalyzed Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Chalcones with Azlactones","Journal of the American Chemical Society","2011","133","","13761","13761","10.1021/ja205501q","","","0.71073","MoKα","","0.0858","0.083","","","0.2018","0.2034","","","","","","1.24","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4107067","17.703","0.002","17.703","0.002","10.585","0.005","90","","90","","120","","2872.9","1.4","195","2","195","2","","","","","","","synthesized","6","P 65","P 65","170","","","","- C11 H15 Cl N2 O4 Zn -","- C11 H15 Cl N2 O4 Zn -","- C66 H90 Cl6 N12 O24 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.0532","0.0469","","","0.1325","0.1387","","","","","","1.053","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107068","17.7786","0.0007","17.7786","0.0007","10.4868","0.0018","90","","90","","120","","2870.6","0.5","195","2","195","2","","","","","","","synthesized","6","P 65","P 65","170","","","","- C11 H15 Br N2 O4 Zn -","- C11 H15 Br N2 O4 Zn -","- C66 H90 Br6 N12 O24 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.075","0.0583","","","0.1731","0.1859","","","","","","1.046","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107791","11.1738","0.0002","11.1738","0.0002","46.6887","0.0016","90","","90","","120","","5048.3","0.2","100","2","100","2","","","","","","","","4","P 65","P 65","170","","","","- C32 H48 N4 O7 -","- C32 H48 N4 O7 -","- C192 H288 N24 O42 -","6","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","MoKα","","0.0346","0.0325","","","0.0881","0.0903","","","","","","1.032","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4108018","23.159","0.001","23.159","0.001","7.016","0.001","90","","90","","120","","3258.8","0.5","198","2","198","2","","","","","","","","5","P 65","P 65","170","","","","- C9.33 H11 F2 N2 O4.17 -","- C9.33 H10.99 F2 N2 O4.165 -","- C111.96 H131.88 F24 N24 O49.98 -","12","2","","Joseph J. Barchi; Rajeshri G. Karki; Marc C. Nicklaus; Maqbool A. Siddiqui; Clifford George; Igor A. Mikhailopulo; Victor E. Marquez","Comprehensive Structural Studies of 2',3'-Difluorinated Nucleosides: Comparison of Theory, Solution, and Solid State","Journal of the American Chemical Society","2008","130","","9048","9057","10.1021/ja800964g","","","1.54178","CuKα","","0.0586","0.044","","","0.0925","0.0977","","","","","","0.995","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4110544","21.321","0.003","21.321","0.003","23.846","0.004","90","","90","","120","","9388","2","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C56 H72 Cl6 N6 O9 -","- C56 H72 Cl6 N6 O9 -","- C336 H432 Cl36 N36 O54 -","6","1","","Margaret A. Schmitt; Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman","New Helical Foldamers: Heterogeneous Backbones with 1:2 and 2:1 α:β-Amino Acid Residue Patterns","Journal of the American Chemical Society","2006","128","","4538","4539","10.1021/ja060281w","","","0.71073","MoKα","","0.1928","0.1581","","","0.374","0.3981","","","","","","1.389","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4114159","12.5069","0.0008","12.5069","0.0008","26.069","0.002","90","","90","","120","","3531.5","0.4","213","2","213","2","","","","","","","","5","P 65","P 65","170","","","","- C24 H23 F3 N2 O4 -","- C24 H23 F3 N2 O4 -","- C144 H138 F18 N12 O24 -","6","1","","Mark S. Taylor; Eric N. Jacobsen","Enantioselective Michael Additions to α,β-Unsaturated Imides Catalyzed by a Salen-Al Complex","Journal of the American Chemical Society","2003","125","","11204","11205","10.1021/ja037177o","","","0.71073","MoKα","","0.2359","0.0996","","","0.2532","0.3255","","","","","","0.99","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4117474","10.693","0.003","10.693","0.003","37.114","0.011","90","","90","","120","","3675.1","1.8","293","2","293","2","","","","","","","","4","P 65","P 65","170","","","","- C17 H38 B10 Si -","- C17 H38 B10 Si -","- C102 H228 B60 Si6 -","6","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.0867","0.055","","","0.1356","0.158","","","","","","1.066","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4118207","10.7247","0.0004","10.7247","0.0004","50.097","0.002","90","","90","","120","","4990.1","0.3","103","2","103","2","","","","","","","","5","P 65","P 65","170","","","","- C41 H35 N O4 S -","- C41 H35 N O4 S -","- C246 H210 N6 O24 S6 -","6","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0769","0.0581","","","0.134","0.1524","","","","","","1.116","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118239","47.4778","0.0013","47.4778","0.0013","17.0113","0.0006","90","","90","","120","","33208.5","1.7","100","","100","","","","","","","","","6","P 65","P 65","170","","","","- C177 H188 Cl3 F3 N32 O25 -","- C177 H188 Cl3 F3 N32 O25 -","- C1062 H1128 Cl18 F18 N192 O150 -","6","1","","Mee-Kyung Chung; Peter S. White; Stephen J. Lee; Marcey L. Waters; Michel R. Gagné","Self-Assembled Multi-Component Catenanes: Structural Insights into an Adaptable Class of Molecular Receptors and [2]-Catenanes","Journal of the American Chemical Society","2012","134","","11415","11429","10.1021/ja302345n","","","1.54184","CuKα","","0.0707","0.0479","","","0.1089","0.1143","","","","","","0.89","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118493","19.293","0.003","19.293","0.003","20.838","0.003","90","","90","","120","","6717.2","1.8","100","2","100","2","","","","","","","","6","P 65","P 65","170","ZnTTFTB","","","- C41.59 H38.99 N1.9 O12.85 S4 Zn2 -","- C41.592 H38.984 N1.896 O12.848 S4 Zn2 -","- C249.552 H233.904 N11.376 O77.088 S24 Zn12 -","6","1","","Tarun C. Narayan; Tomoyo Miyakai; Shu Seki; Mircea Dincă","High Charge Mobility in a Tetrathiafulvalene-Based Microporous Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","12932","12935","10.1021/ja3059827","","","0.71073","MoKα","","0.0227","0.0216","","","0.0497","0.0503","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119174","11.6957","0.0008","11.6957","0.0008","25.449","0.002","90","","90","","120","","3014.8","0.4","143","1","143","1","","","","","","","","4","P 65","P 65","170","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C150 H132 N12 O18 -","6","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Access to the Akuammiline Family of Alkaloids: Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2013","135","","519","528","10.1021/ja3111626","","","0.71073","MoKα","","0.0271","0.0253","","","0.0669","0.0685","","","","","","1.041","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4120437","11.9083","0.0003","11.9083","0.0003","71.9218","0.0007","90","","90","","120","","8832.6","0.3","296","2","296","2","","","","","","","","4","P 65","P 65","170","hof-2-r-pea","","","- C44 H44 N20 O3 -","- C44 H44 N20 O3 -","- C264 H264 N120 O18 -","6","1","","Li, Peng; He, Yabing; Guang, Jie; Weng, Linghong; Zhao, John Cong-Gui; Xiang, Shengchang; Chen, Banglin","A homochiral microporous hydrogen-bonded organic framework for highly enantioselective separation of secondary alcohols.","Journal of the American Chemical Society","2014","136","2","547","549","10.1021/ja4129795","","","1.54178","CuKα","","0.1029","0.0873","","","0.1505","0.1566","","","","","","1.002","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120438","11.8925","0.0008","11.8925","0.0008","71.857","0.004","90","","90","","120","","8801.3","1","296","2","296","2","","","","","","","","4","P 65","P 65","170","hof-2-s-pea","","","- C44 H44 N20 O3 -","- C44 H44 N20 O3 -","- C264 H264 N120 O18 -","6","1","","Li, Peng; He, Yabing; Guang, Jie; Weng, Linghong; Zhao, John Cong-Gui; Xiang, Shengchang; Chen, Banglin","A homochiral microporous hydrogen-bonded organic framework for highly enantioselective separation of secondary alcohols.","Journal of the American Chemical Society","2014","136","2","547","549","10.1021/ja4129795","","","1.54178","CuKα","","0.1032","0.0855","","","0.2677","0.2108","","","","","","1.044","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120439","11.8861","0.0007","11.8861","0.0007","71.796","0.008","90","","90","","120","","8784.4","1.2","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C36 H34 N20 O2 -","- C36 H34 N20 O2 -","- C216 H204 N120 O12 -","6","1","","Li, Peng; He, Yabing; Guang, Jie; Weng, Linghong; Zhao, John Cong-Gui; Xiang, Shengchang; Chen, Banglin","A homochiral microporous hydrogen-bonded organic framework for highly enantioselective separation of secondary alcohols.","Journal of the American Chemical Society","2014","136","2","547","549","10.1021/ja4129795","","","1.54178","CuKα","","0.1029","0.0877","","","0.1918","0.1991","","","","","","1.002","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4122058","25.1348","0.0005","25.1348","0.0005","25.1011","0.0005","90","","90","","120","","13733.3","0.5","110","2","110","2","","","","","","","","5","P 65","P 65","170","","","","- C84 H100 F24 N4 O20 -","- C84 H100 F24 N4 O20 -","- C504 H600 F144 N24 O120 -","6","1","","Xu, Yingjie; Kaneko, Keiichi; Kanai, Motomu; Shibasaki, Masakatsu; Matsunaga, Shigeki","Regiodivergent Kinetic Resolution of Terminal and Internal rac-Aziridines with Malonates under Dinuclear Schiff Base Catalysis.","Journal of the American Chemical Society","2014","136","25","9190","9194","10.1021/ja5039165","","","1.54187","CuKα","","0.1111","0.0752","","","0.1849","0.2331","","","","","","1.099","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122510","11.005","","11.005","","21.5849","0.0002","90","","90","","120","","2263.92","0.02","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 La O7 -","- C12 H18 La O7 -","- C72 H108 La6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.033","0.0287","","","0.0562","0.0581","","","","","","1.081","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122511","10.9931","0.0001","10.9931","0.0001","21.518","0.0004","90","","90","","120","","2252.02","0.05","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 Ce O7 -","- C12 H18 Ce O7 -","- C72 H108 Ce6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0295","0.0267","","","0.0621","0.0632","","","","","","1.052","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122512","10.9771","0.0002","10.9771","0.0002","21.421","0.0007","90","","90","","120","","2235.35","0.09","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 O7 Pr -","- C12 H18 O7 Pr -","- C72 H108 O42 Pr6 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.02","0.0198","","","0.048","0.0481","","","","","","1.173","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122513","10.982","","10.982","","21.3443","0.0003","90","","90","","120","","2229.34","0.03","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 Nd O7 -","- C12 H18 Nd O7 -","- C72 H108 Nd6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0387","0.0317","","","0.0684","0.0717","","","","","","0.953","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122514","10.955","0","10.955","0","21.226","0.0003","90","","90","","120","","2206.09","0.03","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 O7 Sm -","- C12 H18 O7 Sm -","- C72 H108 O42 Sm6 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0324","0.0281","","","0.061","0.0625","","","","","","1.046","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122516","10.942","0.0001","10.942","0.0001","21.1487","0.0005","90","","90","","120","","2192.84","0.06","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 Eu O7 -","- C12 H18 Eu O7 -","- C72 H108 Eu6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0227","0.0218","","","0.0528","0.053","","","","","","1.019","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122517","10.9392","0.0001","10.9392","0.0001","21.0904","0.0004","90","","90","","120","","2185.68","0.05","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 Gd O7 -","- C12 H18 Gd O7 -","- C72 H108 Gd6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0221","0.0204","","","0.0451","0.0457","","","","","","1.085","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122518","10.9244","0.0002","10.9244","0.0002","21.0072","0.0007","90","","90","","120","","2171.17","0.09","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 O7 Tb -","- C12 H18 O7 Tb -","- C72 H108 O42 Tb6 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.056","0.0507","","","0.1262","0.1285","","","","","","1.077","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122519","10.908","0","10.908","0","20.9429","0.0003","90","","90","","120","","2158.03","0.03","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 Dy O7 -","- C12 H18 Dy O7 -","- C72 H108 Dy6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0251","0.024","","","0.0542","0.0546","","","","","","1.136","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122528","10.9487","0.0002","10.9487","0.0002","21.411","0.0007","90","","90","","120","","2222.76","0.09","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- C12 H19 La0.259 O7 Pr0.741 -","- C12 H17 La0.259 O7 Pr0.741 -","- C72 H102 La1.554 O42 Pr4.446 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0578","0.0489","","","0.1097","0.1145","","","","","","1.08","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4123302","12.418","0.003","12.418","0.003","25.856","0.005","90","","90","","120","","3453","1.4","106","2","106","2","","","","","","","","4","P 65","P 65","170","","","","- C26 H33 N O3 -","- C26 H33 N O3 -","- C156 H198 N6 O18 -","6","1","","Lu, Ping; Jackson, Jeffrey J.; Eickhoff, John A.; Zakarian, Armen","Direct enantioselective conjugate addition of carboxylic acids with chiral lithium amides as traceless auxiliaries.","Journal of the American Chemical Society","2015","137","2","656","659","10.1021/ja512213c","","","0.71073","MoKα","","0.0683","0.0462","","","0.0868","0.0945","","","","","","1.034","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123348","19.6","0.003","19.6","0.003","20.76","0.003","90","","90","","120","","6906.7","1.8","100","2","100","","","","","","","","","6","P 65","P 65","170","","","","- C42 H37 Cd2 N2 O13 S4 -","- C42 H37 Cd2 N2 O13 S4 -","- C252 H222 Cd12 N12 O78 S24 -","6","1","","Park, Sarah S.; Hontz, Eric R.; Sun, Lei; Hendon, Christopher H.; Walsh, Aron; Van Voorhis, Troy; Dincă, Mircea","Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal-organic frameworks.","Journal of the American Chemical Society","2015","137","5","1774","1777","10.1021/ja512437u","","","0.71073","MoKα","","0.0453","0.0387","","","0.0916","0.0969","","","","","","1.048","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123349","19.469","0.0007","19.469","0.0007","20.6804","0.0008","90","","90","","120","","6788.5","0.4","100","2","100.01","","","","","","","","","6","P 65","P 65","170","","","","- C40.94 H37.3 Mn2 N1.76 O12.59 S4 -","- C41.013 H37.485 Mn2 N1.777 O12.618 S4 -","- C246.078 H224.91 Mn12 N10.662 O75.708 S24 -","6","1","","Park, Sarah S.; Hontz, Eric R.; Sun, Lei; Hendon, Christopher H.; Walsh, Aron; Van Voorhis, Troy; Dincă, Mircea","Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal-organic frameworks.","Journal of the American Chemical Society","2015","137","5","1774","1777","10.1021/ja512437u","","","0.71073","MoKα","","0.0382","0.0313","","","0.0744","0.0782","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123467","15.05046","0.00019","15.05046","0.00019","22.728","0.0003","90","","90","","120","","4458.53","0.1","110","2","110","2","","","","","","","","6","P 65","P 65","170","","","","- C24 H35 Cl2 Cu N7 O9 -","- C24 H35 Cl2 Cu N7 O9 -","- C144 H210 Cl12 Cu6 N42 O54 -","6","1","","Kim, Sunghee; Lee, Jung Yoon; Cowley, Ryan E.; Ginsbach, Jake W.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","A N3S(thioether)-Ligated Cu(II)-Superoxo with Enhanced Reactivity.","Journal of the American Chemical Society","2015","137","8","2796","2799","10.1021/ja511504n","","","1.54178","CuKα","","0.0259","0.0248","","","0.0615","0.0623","","","","","","1.033","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123557","13.5182","0.0004","13.5182","0.0004","50.6155","0.0016","90","","90","","120","","8010.4","0.4","100","","100","","","","","","","","","6","P 65","P 65","170","","","","- C51 H87 B F4 Ni3 S4 -","- C51 H87 B F4 Ni3 S4 -","- C306 H522 B6 F24 Ni18 S24 -","6","1","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","x-ray","0.71073","MoKα","","0.1022","0.0756","","","0.1734","0.1899","","","","","","0.807","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4125977","16.2897","0.0009","16.2897","0.0009","32.2513","0.0019","90","","90","","120","","7411.5","0.7","100","2","100","2","","","","","","","","7","P 65","P 65","170","","","","- C38 H59 F3 Mo N5 O4 S -","- C38 H59 F3 Mo N5 O4 S -","- C228 H354 F18 Mo6 N30 O24 S6 -","6","1","","Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J.","Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand.","Journal of the American Chemical Society","2017","139","17","6110","6113","10.1021/jacs.7b03070","","","0.71073","MoKα","","0.0318","0.0275","","","0.0649","0.0669","","","","","","1.089","","","","has coordinates","197406","2020-10-21","18:00:00",""
"4127338","13.2016","0.0002","13.2016","0.0002","20.4473","0.0006","90","","90","","120","","3086.17","0.11","293","2","293","2","","","","","","","","3","P 65","P 65","170","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C120 H144 O30 -","6","1","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","x-ray","1.54184","CuKα","","0.0419","0.0374","","","0.101","0.105","","","","","","1.053","","","","has coordinates","220623","2020-10-21","18:00:00",""
"4128086","11.6198","0.0002","11.6198","0.0002","47.0073","0.001","90","","90","","120","","5496.59","0.18","100","2","100","2","","","","","","","","6","P 65","P 65","170","","","","- C38 H55 I Ni O P2 -","- C38 H55 I Ni O P2 -","- C228 H330 I6 Ni6 O6 P12 -","6","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0492","0.0433","","","0.0974","0.1019","","","","","","1.046","","","","has coordinates,has disorder","221217","2020-10-21","18:00:00",""
"4128196","19.362","0.0003","19.362","0.0003","92.9191","0.0011","90","","90","","120","","30167.3","0.8","100","0.1","100","0.1","","","","","","","","7","P 65","P 65","170","","","","- C193 H136 Au10 Cl4 F12 O6 P8 -","- C189 H136 Au10 Cl4 F6 O2 P8 -","- C1134 H816 Au60 Cl24 F36 O12 P48 -","6","1","","Wang, Jia-Qi; Guan, Zong-Jie; Liu, Wen-Di; Yang, Yang; Wang, Quan-Ming","Chiroptical Activity Enhancement via Structural Control: The Chiral Synthesis and Reversible Interconversion of Two Intrinsically Chiral Gold Nanoclusters.","Journal of the American Chemical Society","2019","141","6","2384","2390","10.1021/jacs.8b11096","","x-ray","1.54184","CuKα","","0.1171","0.1137","","","0.2581","0.2599","","","","","","1.097","","","","has coordinates","221334","2020-10-21","18:00:00",""
"4129498","9.0398","0.0005","9.0398","0.0005","39.273","0.0019","90","","90","","120","","2779.3","0.3","147","2","147","2","","","","","","","","5","P 65","P 65","170","","","","- C23 H20 N O2 P -","- C23 H20 N O2 P -","- C138 H120 N6 O12 P6 -","6","1","","Lee, Ansoo; Kim, Hyunwoo","Rhodium-Catalyzed Asymmetric 1,4-Addition of α,β-Unsaturated Imino Esters Using Chiral Bicyclic Bridgehead Phosphoramidite Ligands.","Journal of the American Chemical Society","2015","137","35","11250","11253","10.1021/jacs.5b07034","","","0.71073","MoKα","","0.0319","0.0302","","","0.0709","0.0716","","","","","","1.07","","","","has coordinates","240205","2020-10-21","18:00:00",""
"4130547","9.4218","0.0011","9.4218","0.0011","41.184","0.005","90","","90","","120","","3166.1","0.6","100.01","0.1","100.01","0.1","","","","","","","","6","P 65","P 65","170","","","","- C24 H18 Br N O3 S -","- C24 H18 Br N O3 S -","- C144 H108 Br6 N6 O18 S6 -","6","1","","Wang, Qiang; Li, Tian-Ren; Lu, Liang-Qiu; Li, Miao-Miao; Zhang, Kai; Xiao, Wen-Jing","Catalytic Asymmetric [4 + 1] Annulation of Sulfur Ylides with Copper-Allenylidene Intermediates.","Journal of the American Chemical Society","2016","138","27","8360","8363","10.1021/jacs.6b04414","","","0.71073","MoKα","","0.0879","0.0564","","","0.1079","0.1201","","","","","","1.142","","","","has coordinates","240955","2020-10-21","18:00:00",""
"4131128","9.4581","0.0003","9.4581","0.0003","26.7583","0.0008","90","","90","","120","","2072.99","0.11","100","","100","","","","","","","","","5","P 65","P 65","170","","","","- C11 H13 F3 N4 O3 -","- C11 H13 F3 N4 O3 -","- C66 H78 F18 N24 O18 -","6","1","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","x-ray","1.54178","CuKα","","0.0223","0.0221","","","0.0537","0.0538","","","","","","1.056","","","","has coordinates","241416","2020-10-21","18:00:00",""
"4132419","20.913","0.006","20.913","0.006","10.05","0.003","90","","90","","120","","3806.5","1.9","273","2","273.15","","","","","","","","","6","P 65","P 65","170","","","","- C27 H22 Cl2 N2 O Pd -","- C27 H22 Cl2 N2 O Pd -","- C162 H132 Cl12 N12 O6 Pd6 -","6","1","","Qi, Xiaoxu; Chen, Chaohuang; Hou, Chuanqi; Fu, Liang; Chen, Pinhong; Liu, Guosheng","Enantioselective Pd(II)-Catalyzed Intramolecular Oxidative 6- endo Aminoacetoxylation of Unactivated Alkenes.","Journal of the American Chemical Society","2018","140","24","7415","7419","10.1021/jacs.8b03767","","","0.71073","MoKα","","0.1087","0.0599","","","0.1048","0.1236","","","","","","1.054","","","","has coordinates","242407","2020-10-21","18:00:00",""
"4132839","25.734","0.002","25.734","","15.573","0.001","90","","90","","120","","8931.4","0.9","100","2","100","2","","","","","","","","7","P 65","P 65","170","","","","- C52 H44 Cl0 Cu2 F0 N2 P4 -","- C52 H44 Cu2 N2 P4 -","- C312 H264 Cu12 N12 P24 -","6","1","","Evariste, Sloane; Khalil, Ali Moustafa; Moussa, Mehdi Elsayed; Chan, Alan Kwun-Wa; Hong, Eugene Yau-Hin; Wong, Hok-Lai; Le Guennic, Boris; Calvez, Guillaume; Costuas, Karine; Yam, Vivian Wing-Wah; Lescop, Christophe","Adaptive Coordination-Driven Supramolecular Syntheses toward New Polymetallic Cu(I) Luminescent Assemblies.","Journal of the American Chemical Society","2018","140","39","12521","12526","10.1021/jacs.8b06901","","","0.71069","MoKα","","0.0894","0.0587","","","0.1356","0.1463","","","","","","0.935","","","","has coordinates,has disorder","242731","2020-10-21","18:00:00",""
"4133429","26.7901","0.0006","26.7901","0.0006","5.9921","0.0001","90","","90","","120","","3724.42","0.13","100","2","100","2","","","","","","","","4","P 65","P 65","170","QC469","","","- C29 H29 N O4 -","- C29 H29 N O4 -","- C174 H174 N6 O24 -","6","1","","Jangra, Harish; Chen, Quan; Fuks, Elina; Zenz, Ivo; Mayer, Peter; Ofial, Armin R.; Zipse, Hendrik; Mayr, Herbert","Nucleophilicity and Electrophilicity Parameters for Predicting Absolute Rate Constants of Highly Asynchronous 1,3-Dipolar Cycloadditions of Aryldiazomethanes.","Journal of the American Chemical Society","2018","140","48","16758","16772","10.1021/jacs.8b09995","","","0.71073","MoKα","","0.0472","0.0403","","","0.0971","0.0994","","","","","","1.064","","","","has coordinates","243220","2020-10-21","18:00:00",""
"4133657","19.5192","0.0004","19.5192","0.0004","8.5136","0.0002","90","","90","","120","","2809.1","0.1","100","2","100","","","","","","","","","4","P 65","P 65","170","","","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C120 H156 N12 O12 -","6","1","","He, Chi; Stratton, Thomas P.; Baran, Phil S.","Concise Total Synthesis of Herqulines B and C.","Journal of the American Chemical Society","2019","141","1","29","32","10.1021/jacs.8b13029","","x-ray","1.54178","CuKα","","0.0283","0.0272","","","0.0716","0.0726","","","","","","1.036","","","","has coordinates","243394","2020-10-21","18:00:00",""
"4134000","9.4573","0.0002","9.4573","0.0002","66.22","0.002","90","","90","","120","","5129.3","0.2","273","2","273","2","","","","","","","","4","P 65","P 65","170","","","","- C23 H19 N O -","- C23 H19 N O -","- C276 H228 N12 O12 -","12","2","","Romero-Arenas, Antonio; Hornillos, Valentín; Iglesias-Sigüenza, Javier; Fernández, Rosario; López-Serrano, Joaquín; Ros, Abel; Lassaletta, José M","Ir-Catalyzed Atroposelective Desymmetrization of Heterobiaryls: Hydroarylation of Vinyl Ethers and Bicycloalkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12858","","","1.54178","CuKα","","0.0344","0.0335","","","0.1044","0.1048","","","","","","0.983","","","","has coordinates,has disorder","247137","2020-10-21","18:00:00",""
"4302228","27.59","0.003","27.59","0.003","5.9277","0.0014","90","","90","","120","","3907.7","1.1","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C26 H19 Cu2 N3 O9 -","- C26 H19 Cu2 N3 O9 -","- C156 H114 Cu12 N18 O54 -","6","1","","Maxwell A. Braverman; Joseph H. Nettleman; Ronald M. Supkowski; Robert L. LaDuca","Copper Phthalate Coordination Polymers Incorporating Kinked Dipyridyl Ligands: An Unprecedented 8-Connected Network and One-Dimensional Chiral Nanobarrels with Hydrophobic Channels Constructed from Septuple Helical Motifs","Inorganic Chemistry","2009","48","","4918","4926","10.1021/ic900331m","","","0.71073","MoKα","","0.0575","0.0518","","","0.1227","0.1255","","","","","","1.084","","","","has coordinates","179060","2020-10-21","18:00:00",""
"4304862","27.38","0.002","27.38","0.002","38.033","0.003","90","","90","","120","","24692","3","120","2","120","2","","","","","","","","6","P 65","P 65","170","","","","- C127 H190 N6 O19 S2 Ti3 -","- C127 H190 N6 O19 S2 Ti3 -","- C762 H1140 N36 O114 S12 Ti18 -","6","1","","Yuri N. Belokon'; William Clegg; Ross W. Harrington; Michael North; Carl Young","In Situ Formation of Heterobimetallic Salen Complexes Containing Titanium and/or Vanadium Ions","Inorganic Chemistry","2008","47","","3801","3814","10.1021/ic702451a","","","0.6709","synchrotron","","0.0714","0.0549","","","0.13","0.1379","","","","","","0.992","","","","has coordinates,has disorder","179086","2020-10-21","18:00:00",""
"4305363","21.5055","0.0005","21.5055","0.0005","11.7732","0.0002","90","","90","","120","","4715.46","0.17","120","2","120","2","","","","","","","","6","P 65","P 65","170","[Rh2(BTSE)2Cl2]","[Rh2(BTSE)2Cl2] 1","","- C20 H44 Cl2 O4 Rh2 S4 -","- C20 H44 Cl2 O4 Rh2 S4 -","- C120 H264 Cl12 O24 Rh12 S24 -","6","1","","Thomas Schaub; Yael Diskin-Posner; Udo Radius; David Milstein","Synthesis, Structure, and Reactivity of Rhodium and Iridium Complexes of the Chelating Bis-Sulfoxide tBuSOC2H4SOtBu. Selective O-H Activation of 2-Hydroxy-isopropyl-pyridine","Inorganic Chemistry","2008","47","","6502","6512","10.1021/ic800354q","","","0.71073","MoKα","","0.0394","0.0361","","","0.0743","0.0751","","","","","","1.2","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4305364","21.6261","0.0008","21.6261","0.0008","11.7931","0.0015","90","","90","","120","","4776.6","0.7","203","2","203","2","","","","","","","","6","P 65","P 65","170","[Ir2(BTSE)2Cl2]","[Ir2(BTSE)2Cl2] 2","","- C20 H44 Cl2 Ir2 O4 S4 -","- C20 H44 Cl2 Ir2 O4 S4 -","- C120 H264 Cl12 Ir12 O24 S24 -","6","1","","Thomas Schaub; Yael Diskin-Posner; Udo Radius; David Milstein","Synthesis, Structure, and Reactivity of Rhodium and Iridium Complexes of the Chelating Bis-Sulfoxide tBuSOC2H4SOtBu. Selective O-H Activation of 2-Hydroxy-isopropyl-pyridine","Inorganic Chemistry","2008","47","","6502","6512","10.1021/ic800354q","","","0.71073","MoKα","","0.023","0.0208","","","0.0573","0.0584","","","","","","1.187","","","","has coordinates","179091","2020-10-21","18:00:00",""
"4307808","19.1456","0.0009","19.1456","0.0009","11.0901","0.0011","90","","90","","120","","3520.5","0.4","100","2","100","2","","","","","","","","6","P 65","P 65","170","[PhB(3-(CF3)Pz)3]Ag","","","- C18 H11 Ag B F9 N6 -","- C18 H11 Ag B F9 N6 -","- C108 H66 Ag6 B6 F54 N36 -","6","1","","H. V. Rasika Dias; Jiang Wu; Xiaoyu Wang; Krishnan Rangan","Structural Variations of Silver Ethylene Complexes Supported by Boron-Protected Fluorinated Scorpionates and the Isolation of a Ligand-Directed Silver Helix","Inorganic Chemistry","2007","46","","1960","1962","10.1021/ic062293o","","","0.71073","MoKα","","0.0733","0.0691","","","0.1879","0.1945","","","","","","1.022","","","","has coordinates,has disorder","179116","2020-10-21","18:00:00",""
"4308781","13.151","0.004","13.151","0.004","36.56","0.02","90","","90","","120","","5476","4","293","2","293","2","","","","","","","see text","5","P 65","P 65","170","","","","- C28 H32 Fe2 N6 O11 -","- C28 H30 Fe2 N6 O10 -","- C168 H180 Fe12 N36 O60 -","6","1","","Md. Akhtarul Alam; Munirathinum Nethaji; Manabendra Ray","Structural Characterization of an Enantiopure Hydroxo-Bridged Binuclear Iron(III) Complex with Empty One-Dimensional Helical Channels","Inorganic Chemistry","2005","44","","1302","1308","10.1021/ic049145n","","","0.71073","MoKa","","0.0461","0.0416","","","0.1191","0.1235","","","","","","1.199","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4311520","13.185","0.0003","13.185","0.0003","32.5591","0.0012","90","","90","","120","","4901.9","0.2","100","2","100","2","","","","","","","","7","P 65","P 65","170","7.CH3CN(left_hand)","","","- C30 H26 Ag Au B2 F8 N10 -","- C30 H26 Ag Au B2 F8 N10 -","- C180 H156 Ag6 Au6 B12 F48 N60 -","6","1","","Vincent J. Catalano; Mark A. Malwitz; Anthony O. Etogo","Pyridine Substituted N-Heterocyclic Carbene Ligands as Supports for Au(I)-Ag(I) Interactions: Formation of a Chiral Coordination Polymer","Inorganic Chemistry","2004","43","","5714","5724","10.1021/ic049604k","","","0.71073","MoKα","","0.0284","0.0248","","","0.0503","0.0508","","","","","","1.001","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4312678","9.729","0.0001","9.729","0.0001","56.966","0.0013","90","","90","","120","","4669.63","0.13","110","2","110","2","","","","","","","","7","P 65","P 65","170","","","","- C37 H37 B Br N3 Ni O -","- C37 H37 B Br N3 Ni O -","- C222 H222 B6 Br6 N18 Ni6 O6 -","6","1","","Suman Mukhopadhyay; Debdas Mandal; Dipesh Ghosh; Israel Goldberg; Muktimoy Chaudhury","Equilibrium Studies in Solution Involving Nickel(II) Complexes of Flexidentate Schiff Base Ligands: Isolation and Structural Characterization of the Planar Red and Octahedral Green Species Involved in the Equilibrium","Inorganic Chemistry","2003","42","","8439","8445","10.1021/ic0346174","","","0.71073","MoKα","","0.0933","0.0566","","","0.1183","0.1376","","","","","","0.942","","","","has coordinates","179165","2020-10-21","18:00:00",""
"4312853","11.995","0.004","11.995","0.004","48.844","0.008","90","","90","","120","","6086","3","296","2","293","2","","","","","","","","7","P 65","P 65","170","","","","- C32 H50 F12 N2 P2 Ru2 S3 -","- C32 H50 F12 N2 P2 Ru2 S3 -","- C192 H300 F72 N12 P12 Ru12 S18 -","6","1","","Richard Y. C. Shin; Martin A. Bennett; Lai Yoong Goh; Wei Chen; David C. R. Hockless; Weng Kee Leong; Kazushi Mashima; Anthony C. Willis","Arene-Ruthenium Complexes of an Acyclic Thiolate-Thioether and Tridentate Thioether Derivatives Resulting from Ring-Closure Reactions","Inorganic Chemistry","2003","42","","96","106","10.1021/ic0203419","","","1.54178","CuKα","","0.0413","0.0356","","","0.0918","0.0951","","","","","","1.04","","","","has coordinates","179167","2020-10-21","18:00:00",""
"4317387","9.4253","0.0001","9.4253","0.0001","55.3713","0.0005","90","","90","","120","","4259.96","0.07","223","2","223","2","","","","","","","","6","P 65","P 65","170","","","","- C20 H20 B2 F8 N12 Sr -","- C20 H20 B2 F8 N12 Sr -","- C120 H120 B12 F48 N72 Sr6 -","6","1","","Daniel L. Reger; Christine A. Little; Mark D. Smith; Arnold L. Rheingold; Louise M. Liable-Sands; Glen P. A. Yap; Ilia A. Guzei","Syntheses and Solid State Structures of Tris(pyrazolyl)methane Complexes of Sodium, Potassium, Calcium, and Strontium: Comparison of Structures with Analogous Complexes of Lead(II)","Inorganic Chemistry","2002","41","","19","27","10.1021/ic010690n","","","0.71073","MoKα","","0.0618","0.0505","","0.1214","0.1163","","","","1.056","1.087","1.087","","","","","has coordinates","179253","2020-10-21","18:00:00",""
"4319459","12.4125","0.0002","12.4125","0.0002","23.0975","0.0008","90","","90","","120","","3081.87","0.13","150","2","150","2","","","","","","","see text","7","P 65","P 65","170","","dichloro[N,N-bis(1-propan-2-only oxime)-L-methionine N'-methylamide] nickel(II)","","- C12 H24 Cl2 N4 Ni O3 S -","- C12 H24 Cl2 N4 Ni O3 S -","- C72 H144 Cl12 N24 Ni6 O18 S6 -","6","1","","Dell T. Rosa; Jeanette A. Krause Bauer; Michael J. Baldwin","Structural and Spectroscopic Studies of the Versatile Coordination Chemistry of the Chiral Ligand N,N-Bis(1-propan-2-onyl oxime)-l-methionine N'-Methylamide with Ni^II^ and Zn^II^","Inorganic Chemistry","2001","40","","1606","1613","10.1021/ic000971f","","","0.71073","MoKα","","0.0645","0.0472","","","0.111","0.1203","","","","","","1.036","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4321117","22.2928","0.0019","22.2928","0.0019","8.5121","0.001","90","","90","","120","","3663.5","0.6","150","","150","","","","","","","","see text","5","P 65","P 65","170","","","","- C22 H18 Cl2 N6 Ru -","- C22 H18 Cl2 N6 Ru -","- C132 H108 Cl12 N36 Ru6 -","6","1","","Aldrik H. Velders; Huub Kooijman; Anthony L. Spek; Jaap G. Haasnoot; Dick de Vos; Jan Reedijk","Strong Differences in the in Vitro Cytotoxicity of Three Isomeric Dichlorobis(2-phenylazopyridine)ruthenium(II) Complexes","Inorganic Chemistry","2000","39","","2966","2967","10.1021/ic000167t","","","0.71073","MoKα","","0.0653","0.0557","","","0.1026","0.1055","","","","","","1.19","","","","has coordinates","179314","2020-10-21","18:00:00",""
"4322968","11.435","0.002","11.435","0.002","20.886","0.004","90","","90","","120","","2365.1","0.7","298","2","298","2","","","","","","","","6","P 65","P 65","170","(4,4'-bipy)Cobalt sulfate","","","- C10 H18 Co N2 O9 S -","- C10 Co N2 O9 S -","- C60 Co6 N12 O54 S6 -","6","1","","Jian Lu; Carolyn Yu; Tianyan Niu; Tasneem Paliwala; Gerardo Crisci; Fernando Somosa; Allan J. Jacobson","One-Dimensional Coordination Polymers of Cobalt with 4,4'-Bipyridine: Syntheses and Structures","Inorganic Chemistry","1998","37","","4637","4640","10.1021/ic971614g","","","0.71073","MoKα","","0.0609","0.047","","0.1311","0.1246","","","","1.012","1.041","1.041","","","","","has coordinates","179332","2020-10-21","18:00:00",""
"4323993","9.7604","0.0006","9.7604","0.0009","64.244","0.008","90","","90","","120","","5300.3","0.9","293","2","293","2","","","","","","","","6","P 65","P 65","170","","","","- C41 H36 B N3 O2 Ru -","- C41 H36 B N3 O2 Ru -","- C246 H216 B6 N18 O12 Ru6 -","6","1","","Giuseppe Fachinetti; Tiziana Funaioli; Lorenzo Lecci; Fabio Marchetti","Ru3(CO)12 in Acidic Media. Intermediates of the Acid-Cocatalyzed Water-Gas Shift Reaction (WGSR)","Inorganic Chemistry","1996","35","","7217","7224","10.1021/ic960630v","","","1.54178","CuKα","","0.0735","0.0343","","0.0886","0.0764","","","","1.108","1.066","1.066","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4326914","17.4863","0.0005","17.4863","0.0005","8.5815","0.0005","90","","90","","120","","2272.43","0.16","150","2","150","2","","","","","","","","7","P 65","P 65","170","","tris nitromethane nitrosyl nickel hexafluorophosphate","","- C4 H9 F6 N4 Ni O7 P -","- C4 H9 F6 N4 Ni O7 P -","- C24 H54 F36 N24 Ni6 O42 P6 -","6","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Late-Metal Nitrosyl Cations: Synthesis and Reactivity of [Ni(NO)(MeNO2)3][PF6]","Inorganic Chemistry","2011","50","","11746","11753","10.1021/ic201821t","","","0.71073","MoKα","","0.0755","0.0541","","","0.1361","0.155","","","","","","1.087","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4331322","22.759","0.003","22.759","0.003","25.477","0.005","90","","90","","120","","11428","3","191","2","191","2","","","","","","","","6","P 65","P 65","170","","","","- C103 H140 Cl8 Dy6 N14 O51 -","- C103 H96 Cl8 Dy6 N14 O51 -","- C309 H288 Cl24 Dy18 N42 O153 -","3","0.5","","Shufang Xue; Xiao-Hua Chen; Lang Zhao; Yun-Nan Guo; Jinkui Tang","Two Bulky-Decorated Triangular Dysprosium Aggregates Conserving Vortex-Spin Structure","Inorganic Chemistry","2012","51","","13264","13270","10.1021/ic301785v","","","0.71073","MoKα","","0.0564","0.0443","","","0.1329","0.1459","","","","","","1.077","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4338145","17.5632","0.0017","17.5632","0.0017","18.423","0.003","90","","90","","120","","4921.5","1","200","2","200","2","","","","","","","","7","P 65","P 65","170","","","","- C27 H30 Cl3 Cu Mn2 N3 O10 -","- C27 H24 Cl3 Cu Mn2 N3 O10 -","- C162 H144 Cl18 Cu6 Mn12 N18 O60 -","6","1","","Shiga, Takuya; Maruyama, Kazuya; Newton, Graham N.; Inglis, Ross; Brechin, Euan K.; Oshio, Hiroki","Chiral Single-Chain Magnet: Helically Stacked [Mn(III)2Cu(II)] Triangles.","Inorganic chemistry","2014","53","9","4272","4274","10.1021/ic5002418","","","0.71073","MoKα","","0.1362","0.0574","","","0.0883","0.1029","","","","","","0.866","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4341165","13.0939","0.0006","13.0939","0.0006","34.369","0.003","90","","90","","120","","5103.1","0.6","100","2","100","2","","","","","","","","8","P 65","P 65","170","","","","- C31 H38.5 Br F6 N4 O2.33 P Pd -","- C31 H38 Br F6 N4 O2.25 P Pd -","- C186 H228 Br6 F36 N24 O13.5 P6 Pd6 -","6","1","","Teng, Qiaoqiao; Huynh, Han Vinh","Determining the electron-donating properties of bidentate ligands by (13)c NMR spectroscopy.","Inorganic chemistry","2014","53","20","10964","10973","10.1021/ic501325j","","","0.71073","MoKα","","0.039","0.032","","","0.0652","0.0681","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342000","21.986","0.0015","21.986","0.0015","11.9576","0.0008","90","","90","","120","","5005.7","0.6","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C26 H32 Cl4 Ga2 N4 -","- C26 H32 Cl4 Ga2 N4 -","- C156 H192 Cl24 Ga12 N24 -","6","1","","Kozhukh, Julia; Minier, Mikael A.; Lippard, Stephen J.","Synthesis and Characterization of Mononuclear, Pseudotetrahedral Cobalt(III) Compounds.","Inorganic chemistry","2015","54","2","418","424","10.1021/ic5009279","","","0.71073","MoKα","","0.0545","0.0418","","","0.0813","0.0845","","","","","","1.022","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4348135","11.152","0.0002","11.152","0.0002","26.483","0.0004","90","","90","","120","","2852.35","0.08","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C18 H13 Er N4 O9 -","- C18 H13 Er N4 O9 -","- C108 H78 Er6 N24 O54 -","6","1","","Mihalcea, Ionut; Perfetti, Mauro; Pineider, Francesco; Tesi, Lorenzo; Mereacre, Valeriu; Wilhelm, Fabrice; Rogalev, Andrei; Anson, Christopher E.; Powell, Annie K.; Sessoli, Roberta","Spin Helicity in Chiral Lanthanide Chains.","Inorganic chemistry","2016","55","20","10068","10074","10.1021/acs.inorgchem.6b01010","","","1.54184","Cu-Kα","","0.0181","0.0179","","","0.0434","0.0435","","","","","","1.062","","","","has coordinates","232784","2020-10-21","18:00:00",""
"4348136","11.1664","0.0003","11.1664","0.0003","26.5948","0.0018","90","","90","","120","","2871.8","0.2","100","2","100","2","","","","","","","","6","P 65","P 65","170","","","","- C18 H13 Dy0.12 N4 O9 Y0.88 -","- C18 H13 Dy0.12 N4 O9 Y0.88 -","- C108 H78 Dy0.72 N24 O54 Y5.28 -","6","1","","Mihalcea, Ionut; Perfetti, Mauro; Pineider, Francesco; Tesi, Lorenzo; Mereacre, Valeriu; Wilhelm, Fabrice; Rogalev, Andrei; Anson, Christopher E.; Powell, Annie K.; Sessoli, Roberta","Spin Helicity in Chiral Lanthanide Chains.","Inorganic chemistry","2016","55","20","10068","10074","10.1021/acs.inorgchem.6b01010","","","0.71073","MoKα","","0.0218","0.0207","","","0.0482","0.0486","","","","","","1.039","","","","has coordinates,has disorder","232786","2020-10-21","18:00:00",""
"4348943","11.055","0.0002","11.055","0.0002","47.6676","0.001","90","","90","","120","","5045.12","0.17","298","2","298","2","","","","","","","","5","P 65","P 65","170","coppercarboxylatecoordinationpolymer","","","- C32 H26 Cu2 N4 O14 -","- C32 H26 Cu2 N4 O14 -","- C192 H156 Cu12 N24 O84 -","6","1","","Rao, Purna Chandra; Chaudhary, Sonu Pratap; Kuznetsov, Denis; Mandal, Sukhendu","Transformation of One-Dimensional Achiral Structure to Three-Dimensional Chiral Structure: Mechanistic Study and Catalytic Activities of Chiral Structure.","Inorganic chemistry","2016","55","24","12669","12674","10.1021/acs.inorgchem.6b01836","","","0.71073","MoKα","","0.0477","0.0426","","","0.0897","0.0916","","","","","","1.105","","","","has coordinates","233500","2020-10-21","18:00:00",""
"4500055","24.969","0.001","24.969","0.001","16.924","0.001","90","","90","","120","","9137.7","0.7","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 65","P 65","170","","","","- C54 H40 B N O4 -","- C54 H40 B N O4 -","- C486 H360 B9 N9 O36 -","9","1.5","","Tao Tu; Thierry Maris; James D. Wuest","Crystal Structures of Spiroborates Derived from [1,1'-Binaphthalene]-2,2'-diol (BINOL)","Cryst. Growth & Design","2008","8","","1541","1546","10.1021/cg7008013","","","1.54178","CuKα","","0.1052","0.1041","","","0.2708","0.2716","","","","","","1.089","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500244","19.2182","0.0003","19.2182","0.0003","15.842","0.0004","90","","90","","120","","5067.18","0.17","153","2","153","2","","","","","","","","6","P 65","P 65","170","","","","- C21 H40 Fe N10 Ni O3 -","- C21 H36 Fe N10 Ni O3 -","- C126 H216 Fe6 N60 Ni6 O18 -","6","1","","Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu","Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties","Crystal Growth & Design","2011","11","1","302","","10.1021/cg101314j","","","0.71073","MoKα","","0.0486","0.0359","","","0.0748","0.0831","","","","","","1.062","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4502508","8.324","0.0002","8.324","0.0002","45.18","0.0018","90","","90","","120","","2711.07","0.14","223","2","223","2","","","","","","","","6","P 65","P 65","170","","","","- C15 H13 Cl2 Cu N7 O -","- C15 H13 Cl2 Cu N7 O -","- C90 H78 Cl12 Cu6 N42 O6 -","6","1","","Bai, Shi-Qiang; Leelasubcharoen, Somying; Chen, Xin; Koh, Lip Lin; Zuo, Jing-Lin; Hor, T. S. Andy","Crystallographic Elucidation of Chiral and Helical Cu(II) Polymers Assembled from a Heterodifunctional 1,2,3-Triazole Ligand†","Crystal Growth & Design","2010","10","4","1715","","10.1021/cg901327m","","","0.71073","MoKα","","0.0451","0.0437","","","0.1037","0.1043","","","","","","1.197","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4503012","9.2366","0.001","9.2366","0.001","63.693","0.006","90","","90","","120","","4705.9","0.8","90","0.5","90","0.5","","","","","","","","6","P 65","P 65","170","","","","- C21 H39 N4 O12 P3 S3 -","- C21 H39 N4 O12 P3 S3 -","- C126 H234 N24 O72 P18 S18 -","6","1","","Hossain, Md Alamgir; Işıklan, Muhammet; Pramanik, Avijit; Saeed, Musabbir A.; Fronczek, Frank R.","Anion Cluster: Assembly of Dihydrogen Phosphates for the Formation of a Cyclic Anion Octamer.","Crystal growth & design","2012","12","2","567","571","10.1021/cg201464k","","","1.54178","CuKα","","0.0261","0.0261","","","0.0657","0.0657","","","","","","1.076","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4503871","14.8812","0.0001","14.8812","0.0001","22.5449","0.0004","90","","90","","120","","4323.69","0.09","294","2","294","2","","","","","","","","5","P 65","P 65","170","","","","- C6 H2 Br N3 O6 -","- C6 H2 Br N3 O6 -","- C108 H36 Br18 N54 O108 -","18","3","","Parrish, Damon A.; Deschamps, Jeffrey R.; Gilardi, Richard D.; Butcher, Raymond J.","Polymorphs of Picryl Bromide","Crystal Growth & Design","2008","8","1","57","","10.1021/cg700727n","","","1.54178","CuKα","","0.0394","0.0343","","","0.0886","0.0927","","","","","","1.048","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4507726","13.5717","0.0012","13.5717","0.0012","37.332","0.007","90","","90","","120","","5955","1.3","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- C46 H32 N4 O7 Zn -","- C46 H32 N4 O7 Zn -","- C276 H192 N24 O42 Zn6 -","6","1","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates","Crystal Growth & Design","2013","13","5","2111","","10.1021/cg400180j","","","0.71073","MoKα","","0.0786","0.0455","","","0.063","0.0659","","","","","","1.133","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4509833","9.8241","0.0001","9.8241","0.0001","37.0024","0.0007","90","","90","","120","","3092.76","0.07","150","","150","","","","","","","","","4","P 65","P 65","170","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C132 H144 N12 O36 -","6","1","","Barber, David M.; Duriš, Andrej; Thompson, Amber L.; Sanganee, Hitesh J.; Dixon, Darren J.","One-Pot Asymmetric Nitro-Mannich/Hydroamination Cascades for the Synthesis of Pyrrolidine Derivatives: Combining Organocatalysis and Gold Catalysis.","ACS catalysis","2014","4","2","634","638","10.1021/cs401008v","","","1.5418","CuKα","","0.0282","0.0267","","0.0661","0.0648","0.0661","","","","","","1.0207","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510154","18.4129","0.0009","18.4129","0.0009","12.3856","0.0007","90","","90","","120","","3636.6","0.3","210","2","210","2","","","","","","","","5","P 65","P 65","170","","","","- C4 H10 N2 O20 U3 -","- C4 H10 N2 O20 U3 -","- C24 H60 N12 O120 U18 -","6","1","","de Groot, Joshua; Gojdas, Kyle; Unruh, Daniel K.; Forbes, Tori Z.","Use of Charge-Assisted Hydrogen Bonding in the Supramolecular Assembly of Hybrid Uranyl Materials","Crystal Growth & Design","2014","14","3","1357","","10.1021/cg401849r","","","0.71073","MoKα","","0.0319","0.0269","","","0.0617","0.0637","","","","","","1.11","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4511515","13.6919","0.0016","13.6919","0.0016","21.789","0.005","90","","90","","120","","3537.5","1","298","2","298","2","","","","","","","","4","P 65","P 65","170","Methylpyrazine dicarboxylic acid","5-Methyl-pyrazine-2, 3-dicarboxylic acid","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C126 H108 N36 O72 -","18","3","","Babu, N. Jagadeesh; Nangia, Ashwini","MultipleZ‘ in Carboxylic Acid−Pyridine Trimer Synthon and Kagomé Lattice in the Structure of 5-Methylpyrazine-2,3-dicarboxylic Acid","Crystal Growth & Design","2006","6","9","1995","","10.1021/cg060180+","","","0.71073","MoKα","","0.0861","0.073","","","0.1382","0.1428","","","","","","1.313","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511516","13.6937","0.0007","13.6937","0.0007","21.345","0.002","90","","90","","120","","3466.3","0.4","100","2","100","2","","","","","","","","4","P 65","P 65","170","Methylpyrazine dicarboxylic acid","5-Methyl-pyrazine-2, 3-dicarboxylic acid","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C126 H108 N36 O72 -","18","3","","Babu, N. Jagadeesh; Nangia, Ashwini","MultipleZ‘ in Carboxylic Acid−Pyridine Trimer Synthon and Kagomé Lattice in the Structure of 5-Methylpyrazine-2,3-dicarboxylic Acid","Crystal Growth & Design","2006","6","9","1995","","10.1021/cg060180+","","","0.71073","MoKα","","0.0641","0.0513","","","0.095","0.0992","","","","","","1.293","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511517","13.6974","0.0006","13.6974","0.0006","21.3258","0.0017","90","","90","","120","","3465.1","0.3","100","2","100","2","","","","","","","","4","P 65","P 65","170","Methylpyrazine dicarboxylic acid","5-Methyl-pyrazine-2, 3-dicarboxylic acid","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C126 H108 N36 O72 -","18","3","","Babu, N. Jagadeesh; Nangia, Ashwini","MultipleZ‘ in Carboxylic Acid−Pyridine Trimer Synthon and Kagomé Lattice in the Structure of 5-Methylpyrazine-2,3-dicarboxylic Acid","Crystal Growth & Design","2006","6","9","1995","","10.1021/cg060180+","","","0.71073","MoKα","","0.0568","0.0458","","","0.0956","0.1009","","","","","","1.075","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511750","11.1955","0.0003","11.1955","0.0003","26.7384","0.0014","90","","90","","120","","2902.37","0.19","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C18 H13 Eu N4 O9 -","- C18 H13 Eu N4 O9 -","- C108 H78 Eu6 N24 O54 -","6","1","","Mihalcea, Ionut; Zill, Nicolas; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Spontaneous Resolution in Homochiral Helical [Ln(nic)2(Hnic)(NO3)] Coordination Polymers Constructed from a Rigid Non-chiral Organic Ligand","Crystal Growth & Design","2014","14","9","4729","","10.1021/cg500827u","","","0.71073","MoKα","","0.0163","0.0159","","","0.0385","0.0387","","","","","","1.051","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4513432","14.5783","0.0007","14.5783","0.0007","9.227","0.0006","90","","90","","120","","1698.26","0.16","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C7 H3 N O7.33 U -","- C7 H3 N O7.3332 U -","- C42 H18 N6 O43.9992 U6 -","6","1","","Jayasinghe, Ashini S.; Unruh, Daniel K.; Kral, Andrew; Libo, Anna; Forbes, Tori Z.","Structural Features in Metal‒Organic Nanotube Crystals That Influence Stability and Solvent Uptake","Crystal Growth & Design","2015","15","8","4062","","10.1021/acs.cgd.5b00653","","","0.71073","MoKα","","0.0227","0.0198","","","0.051","0.0518","","","","","","1.125","","","","has coordinates","154569","2020-10-21","18:00:00",""
"4514615","22.1057","0.0008","22.1057","0.0008","6.7305","0.0003","90","","90","","120","","2848.31","0.19","150","","150","","","","","","","","","5","P 65","P 65","170","","","","- C20 H17 N3 O Pd -","- C20 H17 N3 O Pd -","- C120 H102 N18 O6 Pd6 -","6","1","","Agasti, Soumitra; Mondal, Bhaskar; Achar, Tapas Kumar; Sinha, Soumya Kumar; Sarala Suseelan, Anjana; Szabo, Kalman J.; Schoenebeck, Franziska; Maiti, Debabrata","Orthogonal Selectivity in C‒H Olefination: Synthesis of Branched Vinylarene with Unactivated Aliphatic Substitution","ACS Catalysis","2019","9","10","9606","","10.1021/acscatal.9b03019","","x-ray","0.71073","MoKα","","0.0526","0.0425","","","0.081","0.0878","","","","","","1.051","","","","has coordinates","219801","2020-10-21","18:00:00",""
"4516160","10.0382","0.0008","10.0382","0.0008","23.738","0.002","90","","90","","120","","2071.5","0.3","170","2","170","2","","","","","","","","5","P 65","P 65","170","","","","- C4 H12 I3 P Pb -","- C4 H12 I3 P Pb -","- C24 H72 I18 P6 Pb6 -","6","1","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.0489","0.0471","","","0.1125","0.1144","","","","","","1.108","","","","has coordinates","226155","2020-10-21","18:00:00",""
"4516420","12.399","0.004","12.399","0.004","51.391","0.015","90","","90","","120","","6842","4","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C23 H10 N0 O10 Zn2 -","- C23 H10 O10 Zn2 -","- C138 H60 O60 Zn12 -","6","1","","Li, Jiang; Yang, Guo-Ping; Wei, Shi-Long; Gao, Rui-Cheng; Bai, Nan-Nan; Wang, Yao-Yu","Two Microporous Metal‒Organic Frameworks with Suitable Pore Size Displaying the High CO2/CH4 Selectivity","Crystal Growth & Design","2015","15","11","5382","","10.1021/acs.cgd.5b00997","","","0.71073","MoKα","","0.0994","0.0695","","","0.1737","0.191","","","","","","0.606","","","","has coordinates","231300","2020-10-21","18:00:00",""
"4517545","7.1231","0.0003","7.1231","0.0003","19.3925","0.0016","90","","90","","120","","852.12","0.09","293","2","293","2","","","","","","","","2","P 65","P 65","170","","","","- In2 Se3 -","- In2 Se3 -","- In12 Se18 -","6","1","","Chi, Yang; Sun, Zong-Dong; Xu, Qian-Ting; Xue, Huai-Guo; Guo, Sheng-Ping","Hexagonal In<sub>2</sub>Se<sub>3</sub>: A Defect Wurtzite-Type Infrared Nonlinear Optical Material with Moderate Birefringence Contributed by Unique InSe<sub>5</sub> Unit.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23085","","","0.71073","MoKα","","0.0434","0.0424","","","0.1069","0.1074","","","","","","1.232","","","","has coordinates","250000","2020-10-21","18:00:00",""
"4518423","9.7067","0.0001","9.7067","0.0001","39.2119","0.0003","90","","90","","120","","3199.57","0.05","100","0.1","100","0.1","","","","","","","","5","P 65","P 65","170","","","","- C23 H27 N O4 S -","- C23 H27 N O4 S -","- C138 H162 N6 O24 S6 -","6","1","","Liang, Ren-Xiao; Zhong, Chao; Liu, Zhi-Hong; Yang, Miao; Tang, Heng-Wei; Chen, Jian-Fei; Yang, Yun-Fang; Jia, Yi-Xia","Enantioselective Arylation of Tetrasubstituted Enamines: Access to Enantioenriched Indolenine and 1H-Indole Derivatives","ACS Catalysis","2021","","","1827","1832","10.1021/acscatal.0c05020","","x-ray","1.54184","CuKα","","0.0249","0.0248","","","0.0632","0.0632","","","","","","1.058","","","","has coordinates","261238","2021-01-26","22:26:57",""
"4518826","10.2602","0.0009","10.2602","0.0009","61.043","0.005","90","","90","","120","","5565.2","0.8","153","2","153","2","","","","","","","","6","P 65","P 65","170","","","","- C16 H19 Br Mn N3 O3 -","- C16 H19 Br Mn N3 O3 -","- C192 H228 Br12 Mn12 N36 O36 -","12","2","","Wang, Lixian; Lin, Jin; Sun, Qiangsheng; Xia, Chungu; Sun, Wei","Amino Acid Derived Chiral Aminobenzimidazole Manganese Catalysts for Asymmetric Transfer Hydrogenation of Ketones","ACS Catalysis","2021","11","13","8033","8041","10.1021/acscatal.1c00616","","","0.71073","MoKα","","0.0479","0.039","","","0.1022","0.1068","","","","","","1","","","","has coordinates","266956","2021-07-04","01:31:59",""
"7009553","13.563","0.007","13.56","0.01","35.8","0.02","90","","90","","120","","5702","6","296.2","","296.2","","","","","","","","","6","P 65","P 65","170","","","","- C32 H41 Cl2 Co2 N7 O10 -","- C32 H41 Cl2 Co2 N7 O10 -","- C192 H246 Cl12 Co12 N42 O60 -","6","1","","Furutachi, Hideki; Fujinami, Shuhei; Suzuki, Masatatsu; Ōkawa, Hisashi","Dinuclear CoIIMII (M = Pb or Co) complexes having a “Co(salen)” entity in a macrocyclic framework: ligand modulation effect and neighboring metal(II) effect upon oxygenation at the “Co(salen)” center","Journal of the Chemical Society, Dalton Transactions","2000","","16","2761","","10.1039/b001881n","","","0.7107","MoK","","","0.0833","","","0.1156","","","","","2.106","2.106","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012178","22.332","0.0015","22.332","0.0015","10.369","0.0007","90","","90","","120","","4478.4","0.5","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C32 H32 Fe N2 O6 -","- C32 H32 Fe N2 O6 -","- C192 H192 Fe6 N12 O36 -","6","1","","van Staveren, Dave R.; Weyhermüller, Thomas; Metzler-Nolte, Nils","Organometallic β-turn mimetics. A structural and spectroscopic study of inter-strand hydrogen bonding in ferrocene and cobaltocenium conjugates of amino acids and dipeptides","Dalton Transactions","2003","","2","210","","10.1039/b208363a","","","0.71073","MoKα","","0.0742","0.0532","","0.1567","0.1337","","","","1.039","1.097","1.097","","","","","has coordinates","179825","2020-10-21","18:00:00",""
"7027198","8.04","0.003","8.04","","43.73","0.004","90","","90","","120","","2448.1","0.9","296.2","","296.2","","","","","","","","","5","P 65","P 65","170","","[(1,1,1-tris(4-amino-1-oxo-2-azabutyl)ethane)cobalt(III)] trihydrate","","- C11 H27 Co N6 O6 -","- C11 H27 Co N6 O6 -","- C66 H162 Co6 N36 O36 -","6","1","","Angus, Patricia M.; Elliott, Anthony J.; Sargeson, Alan M.; Willis, Anthony C.","Synthesis and properties of cobalt(III) complexes of tripodal ligands containing amide functional groups","Journal of the Chemical Society, Dalton Transactions","1999","","7","1131","","10.1039/a809316d","","","1.5418","CuKα","","","0.027","","","","0.029","","","","","","1.72","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029604","8.3897","0.0001","8.3897","0.0001","35.4893","0.0005","90","","90","","120","","2163.32","0.05","150","2","150","2","","","","","","","","6","P 65","P 65","170","","","","- C12 H16 Cl2 Fe N2 O2 -","- C12 H16 Cl2 Fe N2 O2 -","- C72 H96 Cl12 Fe6 N12 O12 -","6","1","","Moelands, Marcel A. H.; Schamhart, Daniel J.; Folkertsma, Emma; Lutz, Martin; Spek, Anthony L.; Klein Gebbink, Robertus J. M.","Facial triad modelling using ferrous pyridinyl prolinate complexes: synthesis and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6769","6785","10.1039/c3dt53266f","","","0.71073","MoKα","","0.03","0.0252","","","0.0507","0.0528","","","","","","1.072","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7032045","25.982","0.005","25.982","0.005","12.486","0.002","90","","90","","120","","7300","2","296","2","296","2","","","","","","","","6","P 65","P 65","170","","","","- C45 H53 Cl2 N2 Pd Sb -","- C45 H53 Cl2 N2 Pd Sb -","- C270 H318 Cl12 N12 Pd6 Sb6 -","6","1","","Yang, Jin; Li, Pinhua; Zhang, Yicheng; Wang, Lei","A new library of arsine, stibine-stabilized N-heterocyclic carbene palladium complexes: synthesis, structures and activities in C-C and C-N coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14114","14122","10.1039/c4dt01773k","","","0.71073","MoKα","","0.0454","0.0397","","","0.0988","0.1028","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033206","13.4441","0.0002","13.4441","0.0002","49.8415","0.001","90","","90","","120","","7801.6","0.2","103","2","103","2","","","","","","","","6","P 65","P 65","170","","","","- C56 H59 I O4 P2 Pd -","- C56 H59 I O4 P2 Pd -","- C336 H354 I6 O24 P12 Pd6 -","6","1","","Yang, Xiang-Yuan; Gan, Jun Hao; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Palladium catalyzed asymmetric hydrophosphination of α,β- and α,β,γ,δ-unsaturated malonate esters - efficient control of reactivity, stereo- and regio-selectivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1258","1263","10.1039/c4dt02673j","","","0.71073","MoKα","","0.0274","0.0259","","","0.0547","0.0553","","","","","","1.07","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7034087","11.1993","0.0009","11.1993","0.0009","26.5836","0.0018","90","","90","","120","","2887.5","0.4","128","2","128","2","","","","","","","","5","P 65","P 65","170","","","","- C18 H13 Dy N4 O9 -","- C18 H13 Dy N4 O9 -","- C108 H78 Dy6 N24 O54 -","6","1","","Liu, Shuang; Li, Lei-Lei; Li, Han; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Slow magnetic relaxation in a lanthanide helix chain compound [Dy(HNA)(NA)2(NO3)]n (HNA = nicotinic acid).","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6169","6174","10.1039/c5dt00205b","","","0.71073","MoKα","","0.0311","0.0282","","","0.053","0.055","","","","","","1.028","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034280","10.839","0.0015","10.839","0.0015","59.167","0.012","90","","90","","120","","6019.9","1.7","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C46 H38 N6 Ni S2 -","- C46 H38 N6 Ni S2 -","- C276 H228 N36 Ni6 S12 -","6","1","","Wicht, Merrill M.; Báthori, Nikoletta B; Nassimbeni, Luigi R.","Isoquinoline-based Werner clathrates with xylene isomers: aromatic interactions vs. molecular flexibility.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6863","6870","10.1039/c5dt00084j","","","0.71073","MoKα","","0.0668","0.0461","","","0.1055","0.115","","","","","","1.028","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7037942","16.7268","0.0003","16.7268","0.0003","17.0407","0.0004","90","","90","","120","","4128.99","0.14","100","2","100","","","","","","","","","6","P 65","P 65","170","","","","- C19.5 H37 Cl6 N P2 Pt -","- C19.5 H37 Cl6 N P2 Pt -","- C117 H222 Cl36 N6 P12 Pt6 -","6","1","","Haddow, Mairi F.; Jaltai, Judit; Hanton, Martin; Pringle, Paul G.; Rush, Laura E.; Sparkes, Hazel A.; Woodall, Christopher H.","Aminophobanes: hydrolytic stability, tautomerism and application in Cr-catalysed ethene oligomerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2294","2307","10.1039/c5dt04394h","","x-ray","0.71074","MoKα","","0.0367","0.0278","","","0.0668","0.0909","","","","","","1.155","","","","has coordinates,has disorder","176097","2020-10-21","18:00:00",""
"7040271","10.0709","0.0009","10.0709","0.0009","49.888","0.004","90","","90","","120","","4381.9","0.7","100","2","100","","","","","","","","","7","P 65","P 65","170","","1[SbF6]2","","- C18 H21 F12 Fe N7 S3 Sb2 -","- C18 H21 F12 Fe N7 S3 Sb2 -","- C108 H126 F72 Fe6 N42 S18 Sb12 -","6","1","","Struch, N.; Wagner, N.; Schnakenburg, G.; Weisbarth, R.; Klos, S.; Beck, J.; Lützen, A","Thiazolylimines as novel ligand-systems for spin-crossover centred near room temperature.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14023","14029","10.1039/c6dt02077a","","x-ray","0.71073","MoKα","","0.017","0.0168","","","0.0381","0.0382","","","","","","1.192","","","","has coordinates","187124","2020-10-21","18:00:00",""
"7040538","10.4774","0.0002","10.4774","0.0002","49.1495","0.0016","90","","90","","120","","4672.6","0.2","150","0.2","150","0.2","","","","","","","","6","P 65","P 65","170","","","","- C40 H33 Cl O2 P Rh -","- C40 H33 Cl O2 P Rh -","- C240 H198 Cl6 O12 P6 Rh6 -","6","1","","Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15660","15670","10.1039/c6dt02390h","","","0.71073","MoKα","","0.0591","0.0574","","","0.108","0.109","","","","","","1.22","","","","has coordinates","188128","2020-10-21","18:00:00",""
"7042272","11.2387","0.0008","11.2387","0.0008","26.491","0.004","90","","90","","120","","2897.8","0.5","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C18 H13 Ho N4 O9 -","- C18 H13 Ho N4 O9 -","- C108 H78 Ho6 N24 O54 -","6","1","","Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin","Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4265","4277","10.1039/c7dt00218a","","","0.71073","MoKα","","0.0381","0.037","","","0.1063","0.1071","","","","","","1.04","","","","has coordinates","195088","2020-10-21","18:00:00",""
"7042275","11.2771","0.0003","11.2771","0.0003","26.639","0.0014","90","","90","","120","","2933.89","0.19","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C18 H13 N4 O9 Tb -","- C18 H13 N4 O9 Tb -","- C108 H78 N24 O54 Tb6 -","6","1","","Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin","Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4265","4277","10.1039/c7dt00218a","","","0.71073","MoKα","","0.0205","0.0183","","","0.0521","0.0528","","","","","","1.008","","","","has coordinates","195088","2020-10-21","18:00:00",""
"7042277","11.309","0.004","11.309","0.004","26.697","0.012","90","","90","","120","","2957","2","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C18 H13 Eu N4 O9 -","- C18 H13 Eu N4 O9 -","- C108 H78 Eu6 N24 O54 -","6","1","","Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin","Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4265","4277","10.1039/c7dt00218a","","","0.71073","MoKα","","0.0392","0.0321","","","0.0907","0.1072","","","","","","1.054","","","","has coordinates","195088","2020-10-21","18:00:00",""
"7042278","11.3285","0.0003","11.3285","0.0003","26.7591","0.0013","90","","90","","120","","2974.04","0.18","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C18 H13 N4 Nd O9 -","- C18 H13 N4 Nd O9 -","- C108 H78 N24 Nd6 O54 -","6","1","","Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin","Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4265","4277","10.1039/c7dt00218a","","","0.71073","MoKα","","0.0446","0.0435","","","0.1213","0.1219","","","","","","1.07","","","","has coordinates","195088","2020-10-21","18:00:00",""
"7044896","8.7435","0.0004","8.7435","0.0004","69.045","0.003","90","","90","","120","","4571.2","0.4","100","2","100","","","","","","","","","4","P 65","P 65","170","","","","- C33 H43 N3 O3 -","- C33 H43 N3 O3 -","- C198 H258 N18 O18 -","6","1","","Pirovano, Paolo; Berry, Abigail R.; Swart, Marcel; McDonald, Aidan R.","Indirect evidence for a Ni<sup>III</sup>-oxyl oxidant in the reaction of a Ni<sup>II</sup> complex with peracid.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","246","250","10.1039/c7dt03316h","","x-ray","1.54178","CuKα","","0.0653","0.0577","","","0.1461","0.1516","","","","","","1.031","","","","has coordinates,has disorder","229389","2020-10-21","18:00:00",""
"7049594","10.8264","0.0003","10.8264","0.0003","52.532","0.002","90","","90","","120","","5332.4","0.3","100","2","100","2","","","","","","","","8","P 65","P 65","170","","","","- C29 H34 Cl2 F6 Fe N6 O6 S2 -","- C29 H34 Cl2 F6 Fe N6 O6 S2 -","- C174 H204 Cl12 F36 Fe6 N36 O36 S12 -","6","1","","Mitra, Mainak; Cusso, Olaf; Bhat, Satish S.; Sun, Mingzhe; Cianfanelli, Marco; Costas, Miquel; Nordlander, Ebbe","Highly enantioselective epoxidation of olefins by H<sub>2</sub>O<sub>2</sub> catalyzed by a non-heme Fe(ii) catalyst of a chiral tetradentate ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6123","6131","10.1039/c8dt04449j","","","0.71073","MoKα","","0.0632","0.0592","","","0.1622","0.1668","","","","","","1.053","","","","has coordinates","224409","2020-10-21","18:00:00",""
"7057136","12.3508","0.0004","12.3508","0.0004","22.9876","0.0011","90","","90","","120","","3036.8","0.2","100","2","100","2","","","","","","","","7","P 65","P 65","170","","","","- C17 H18 Cl N O2 Pd Te -","- C17 H18 Cl N O2 Pd Te -","- C102 H108 Cl6 N6 O12 Pd6 Te6 -","6","1","","Rajegowda, H. R.; Kumar, P. Raghavendra; Hosamani, Amar; Butcher, R. J.","Synthesis, characterization and determination of absolute structures of palladium complexes of novel chiral acyclic tellurated Schiff base ligands","New Journal of Chemistry","2018","42","8","6264","","10.1039/C8NJ00727F","","","0.71073","MoKα","","0.0598","0.0436","","","0.0777","0.0828","","","","","","0.954","","","","has coordinates","230246","2020-10-21","18:00:00",""
"7057960","23.75","0.0005","23.75","0.0005","5.1239","0.0001","90","","90","","120","","2502.99","0.09","200","2","200","2","","","","","","","","6","P 65","P 65","170","","","","- C15 H11 Cl2 N3 O4 S -","- C15 H11 Cl2 N3 O4 S -","- C90 H66 Cl12 N18 O24 S6 -","6","1","","Vila, Carlos; Tortosa, Arturo; Blay, Gonzalo; Muñoz, M. Carmen; Pedro, José R.","Organocatalytic enantioselective functionalization of indoles in the carbocyclic ring with cyclic imines","New Journal of Chemistry","2019","43","1","130","","10.1039/C8NJ05577G","","","1.54178","CuKα","","0.0536","0.0506","","","0.1632","0.1669","","","","","","1.092","","","","has coordinates","224750","2020-10-21","18:00:00",""
"7058326","9.6838","0.0002","9.6838","0.0002","43.5738","0.0008","90","","90","","120","","3538.73","0.12","100","2","100","2","","","","","","","","6","P 65","P 65","170","BBu2-BrDHDP","","","- C23 H36 B Br N2 O2 -","- C23 H36 B Br N2 O2 -","- C138 H216 B6 Br6 N12 O12 -","6","1","","Wu, Zhiyuan; Fujita, Hikaru; Magdaong, Nikki Cecil M.; Diers, James R.; Hood, Don; Allu, Srinivasarao; Niedzwiedzki, Dariusz M.; Kirmaier, Christine; Bocian, David F.; Holten, Dewey; Lindsey, Jonathan S.","New molecular design for blue BODIPYs","New Journal of Chemistry","2019","43","19","7233","","10.1039/C9NJ01114E","","","0.71073","MoKα","","0.0347","0.0331","","","0.0773","0.0779","","","","","","1.169","","","","has coordinates","224832","2020-10-21","18:00:00",""
"7100113","18.1402","0.0003","18.1402","0.0003","6.1582","0.0002","90","","90","","120","","1754.96","0.07","105","2","105","2","","","","","","","","4","P 65","P 65","170","L-Leucyl-L-serine acetonitrile solvate","","","- C9.17 H18.26 N2.08 O4 -","- C9.168 H18 N2.084 O4 -","- C55.008 H108 N12.504 O24 -","6","1","","C. Gorbitz; M. Nilsen; K. Szeto; L.W. Tangen","","Chemical Communications","2005","","","","","10.1039/b504976h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100114","18.1253","0.0003","18.1253","0.0003","6.1497","0.0002","90","","90","","120","","1749.66","0.07","105","2","105","2","","","","","","","","4","P 65","P 65","170","L-Leucyl-L-serine","","","- C9 H18 N2 O4 -","- C9 H18 N2 O4 -","- C54 H108 N12 O24 -","6","1","","C. Gorbitz; M. Nilsen; K. Szeto; L.W. Tangen","","Chemical Communications","2005","","","","","10.1039/b504976h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100115","18.147","0.0003","18.147","0.0003","6.1536","0.0002","90","","90","","120","","1754.97","0.07","105","2","105","2","","","","","","","","5","P 65","P 65","170","L-Leucyl-L-serine iodine complex","","","- C9 H18 I0.07 N2 O4 -","- C9 H18 I0.068 N2 O4 -","- C54 H108 I0.408 N12 O24 -","6","1","","C. Gorbitz; M. Nilsen; K. Szeto; L.W. Tangen","","Chemical Communications","2005","","","","","10.1039/b504976h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100357","8.807","0.003","8.807","0.003","64.67","0.04","90","","90","","120","","4344","3","293","2","293","2","","","","","","","","4","P 65","P 65","170","Tyrosyl-alpha-aminoisobutyryl-tyrosyl-valine dihydrate","","","- C27 H40 N4 O9 -","- C27 H40 N4 O9 -","- C162 H240 N24 O54 -","6","1","","Arindam Banerjee; Apurba Kumar Das; Debasish Haldar; Raghurama P. Hegde; N. Shamala","X-ray crystallographic signature of supramolecular triple helix formation from a water soluble synthetic tetrapeptide","Chemical Communications","2005","","","","","10.1039/b417726f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101184","27.007","0.004","27.007","0.004","11.473","0.002","90","","90","","120","","7247","2","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C41 H73 N3 O9 -","- C41 H73 N3 O9 -","- C246 H438 N18 O54 -","6","1","","Bhattarai, Khadga M.; del Amo, Vicente; Magro, Germinal; Sisson, Adam L.; Joos, Jean-Baptiste; Charmant, Jonathan P. H.; Kantacha, Anob; Davis, Anthony P.","The ""triamino-analogue"" of methyl allocholate; a rigid, functionalised scaffold for supramolecular chemistry","Chemical Communications (Cambridge, United Kingdom)","2006","","22","2335","2337","10.1039/b602415g","","x-ray","0.71074","MoKα","","0.1262","0.0843","","","0.2037","0.226","","","","","","1.039","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7102500","10.9348","0.0004","10.9348","0.0004","35.379","0.003","90","","90","","120","","3663.5","0.3","100","2","100","2","","","","","","","","5","P 65","P 65","170","","tert-butyl 2-[biphenyl-2-yl(phenyl)phosphorothioyl]benzoate","","- C29 H27 O2 P S -","- C29 H27 O2 P S -","- C174 H162 O12 P6 S6 -","6","1","","Korff, Christian; Helmchen, Gunter","Preparation of chiral triarylphosphines by Pd-catalysed asymmetric P-C cross-coupling.","Chemical communications (Cambridge, England)","2004","","5","530","531","10.1039/b315009g","","","0.71073","MoKα","","0.0264","0.0258","","","0.0654","0.0658","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103082","21.191","0.005","21.191","0.005","10.778","0.005","90","","90","","120","","4192","2","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C26 H34.33 N2 O5.17 Ru -","- C26 H34 N2 O5.17 Ru -","- C156 H204 N12 O31.02 Ru6 -","6","1","","Ito, Jun-ichi; Ujiie, Satoshi; Nishiyama, Hisao","A new NCN pincer ruthenium complex and its catalytic activity for enantioselective hydrogenation of ketones.","Chemical communications (Cambridge, England)","2008","","16","1923","1925","10.1039/b800387d","","","0.71073","MoKα","","0.0411","0.0339","","","0.0828","0.0871","","","","","","1.029","","","","has coordinates","180132","2020-10-21","18:00:00",""
"7103398","16.3917","0.0003","16.3917","0.0003","24.8007","0.0012","90","","90","","120","","5770.9","0.3","100","2","100","2","","","","","","","","5","P 65","P 65","170","Benzene-1,3,5-tricarboxylic acid tris(4-iodophenyl) ester chloroform solvate","Benzene-1,3,5-tricarboxylic acid tris(4-iodophenyl) ester chloroform solvate","","- C30 H18 Cl9 I3 O6 -","- C30 H18 Cl9 I3 O6 -","- C180 H108 Cl54 I18 O36 -","6","1","","Pigge, F Christopher; Vangala, Venu R; Kapadia, Pradeep P; Swenson, Dale C; Rath, Nigam P","Hexagonal crystalline inclusion complexes of 4-iodophenoxy trimesoate.","Chemical communications (Cambridge, England)","2008","","39","4726","4728","10.1039/b809592b","","","0.71073","MoKα","","0.0618","0.0541","","","0.1551","0.1637","","","","","","1.061","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104454","23.4652","0.0005","23.4652","0.0005","15.7143","0.0002","90","","90","","120","","7493.3","0.2","110","2","110","2","","","","","","","","5","P 65","P 65","170","","","","- C46 H76 N2 O4 Zr -","- C46 H76 N2 O4 Zr -","- C276 H456 N12 O24 Zr6 -","6","1","","Sergeeva, Ekaterina; Kopilov, Jacob; Goldberg, Israel; Kol, Moshe","Salan ligands assembled around chiral bipyrrolidine: predetermination of chirality around octahedral Ti and Zr centres.","Chemical communications (Cambridge, England)","2009","34","21","3053","3055","10.1039/b823176a","","","0.71073","MoKα","","0.1039","0.0613","","","0.1376","0.1549","","","","","","0.981","","","","has coordinates","180147","2020-10-21","18:00:00",""
"7106159","23.3688","0.0011","23.3688","0.0011","8.5888","0.0002","90","","90","","120","","4062","0.3","293.1","","293.1","","","","","","","","","4","P 65","P 65","170","","","","- C22 H32 I O10.5 -","- C22 H32 I O10.5 -","- C132 H192 I6 O63 -","6","1","","Morifumi Fujita; Mikimasa Wakita; Takashi Sugimura","Enantioselective Prevost and Woodward reactions using chiral hypervalent iodine(III): switchover of stereochemical course of an optically active 1,3-dioxolan-2-yl cation","Chem.Commun.","2011","47","","3983","","10.1039/c1cc10129c","","","0.71069","MoKα","","","0.0517","","","","0.0577","","","","","","1.188","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106768","18.6018","0.0016","18.6018","0.0016","42.963","0.004","90","","90","","120","","12875","2","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C68 H62 Cu2 N2 O14 -","- C68 H62 Cu2 N2 O14 -","- C408 H372 Cu12 N12 O84 -","6","1","","Sung Min Shin; Kyung Seok Jeong; Jaheon Kim; Praveen K. Thallapally; Nakcheol Jeong","Homochiral 3D Metal-Organic Frameworks from Chiral 1D Rods: 6-Way Helical Packing","Chem.Commun.","2011","47","","9402","","10.1039/c1cc12908b","","","0.71073","mokα","","0.1074","0.0704","","","0.1481","0.1612","","","","","","0.898","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7107967","18.0024","0.0014","18.0024","0.0014","46.984","0.004","90","","90","","120","","13186.9","1.8","173","","173","","","","","","","","","6","P 65","P 65","170","","","","- C84 H102 Fe3 I N27 Ni2 -","- C84 H102 Fe3 I N27 Ni2 -","- C504 H612 Fe18 I6 N162 Ni12 -","6","1","","Makoto Tadokoro; Yasuko Tanaka; Khoichiro Noguchi; Tomoaki Sugaya; Kyosuke Isoda","Molecular cable-like 1-D iodic spiral chains covered with triple helices stabilized in guest-included chiral porous framework","Chem.Commun.","2012","48","","7155","","10.1039/c2cc32289g","","","0.71073","MoKα","","0.1427","0.1058","","","0.2585","0.271","","","","","","1.435","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7108514","13.5091","0.0007","13.5091","0.0007","36.8157","0.0019","90","","90","","120","","5818.6","0.5","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- C46 H34 Co N4 O7 -","- C46 H32 Co N4 O7 -","- C276 H192 Co6 N24 O42 -","6","1","","Ling Qin; Jin-Song Hu; Ming-Dao Zhang; Zi-Jian Guo; He-Gen Zheng","Structure-property relationship of homochiral and achiral supramolecular isomers obtained by one-pot synthesis","Chem.Commun.","2012","48","","10757","","10.1039/c2cc36003a","","","0.71073","MoKα","","0.0377","0.0305","","","0.0598","0.0615","","","","","","0.951","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7109274","14.0226","0.0002","14.0226","0.0002","22.0805","0.0008","90","","90","","120","","3760.08","0.16","298","2","298","2","","","","","","","","5","P 65","P 65","170","","","","- C27 H25 Br N2 O5 -","- C27 H25 Br N2 O5 -","- C162 H150 Br6 N12 O30 -","6","1","","Maria Gonzalez-Esguevillas; Javier Adrio; Juan C. Carretero","Enantioselective synthesis of 4-aminopyrrolidine-2,4-dicarboxylate derivatives via Ag-catalyzed cycloaddition of azomethine ylides with alkylidene azlactones","Chem.Commun.","2013","49","","4649","","10.1039/c3cc41663a","","","1.54178","CuKα","","0.0347","0.0308","","","0.0744","0.0769","","","","","","1.037","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109499","19.805","0.007","19.805","0.007","12.37","0.006","90","","90","","120","","4202","3","150","2","150","2","","","","","","","","5","P 65","P 65","170","","","","- C33 H35 Ir N5 O2 -","- C30 H28 Ir N5 O2 -","- C180 H168 Ir6 N30 O12 -","6","1","","David L. Davies; Kuldip Singh; Shalini Singh; Barbara Villa-Marcos","Preparation of single enantiomers of chiral at metal bis-cyclometallated iridium complexes","Chem.Commun.","2013","49","","6546","","10.1039/c3cc43121e","","","0.71073","MoKα","","0.0336","0.0292","","","0.0586","0.0595","","","","","","0.982","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7111297","10.4375","0.0001","10.4375","0.0001","39.4397","0.0004","90","","90","","120","","3720.98","0.06","123","2","123","2","","","","","","","","5","P 65","P 65","170","","(R)-Tricarbonyl[(eta6-4a,5,6,7,8,8a)-1-tert.butyldimethylsilyloxy-2,3-diethyl-4-methoxynaphthalene]chromium(0)","","- C24 H32 Cr O5 Si -","- C24 H32 Cr O5 Si -","- C144 H192 Cr6 O30 Si6 -","6","1","","Jahr, Holger C.; Nieger, Martin; Heinz Dötz, Karl","Controlled haptotropic rearrangements ‒ towards a stereospecific molecular switch based on chiral arene chromium complexes","Chemical Communications","2003","","23","2866","","10.1039/b307487k","","","0.71073","MoKα","","0.0376","0.0277","","","0.0545","0.057","","","","","","0.984","","","","has coordinates","180226","2020-10-21","18:00:00",""
"7112410","19.467","0.001","19.467","0.001","10.8548","0.0006","90","","90","","120","","3562.5","0.3","296.24","0.1","296.24","0.1","","","","","","","","4","P 65","P 65","170","","","","- C22 H22 N4 O6 -","- C22 H22 N4 O6 -","- C132 H132 N24 O36 -","6","1","","Zhang, Jinlong; Liu, Xihong; Ma, Xiaojuan; Wang, Rui","Organocatalyzed asymmetric vinylogous Michael addition of α,β-unsaturated γ-butyrolactam.","Chemical communications (Cambridge, England)","2013","49","81","9329","9331","10.1039/c3cc44059a","","","0.7107","MoKα","","0.1251","0.0869","","","0.2303","0.2721","","","","","","1.08","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7115009","10.329","0.001","10.329","0.001","28.108","0.004","90","","90","","120","","2597","0.5","120","","120","","","","","","","","","4","P 65","P 65","170","","(S)-(Methyl-phenyl-amino)-N-((S)-1-phenyl-ethyl)-butyramide","","- C19 H23 N2 O -","- C19 H24 N2 O -","- C114 H144 N12 O6 -","6","1","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Catalytic enantioselective addition of aromatic amines to enones: synthesis of optically active β-amino acid derivatives","Chemical Communications","2001","","14","1240","","10.1039/b103334b","","","0.71073","MoKα","","","0.049","","","","0.052","","","","","","1.38","","","","has coordinates","288193","2023-12-08","17:12:24",""
"7115774","11.2648","0.0008","11.2648","0.0008","21.2304","0.0015","90","","90","","120","","2333.1","0.3","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C102 H126 N6 O18 -","6","1","","Dilip V. Patil; Hyun-Sub Park; Jaeyoung Koo; Jin Wook Han; Seunghoon Shin","Aerobic oxygenative cleavage of electron deficient C-C triple bonds in the gold-catalyzed cyclization of 1,6-enynes","Chem.Commun.","2014","50","","12722","","10.1039/C4cc04153D","","","0.71073","MoKα","","0.1063","0.0563","","","0.116","0.1336","","","","","","1.032","","","","has coordinates,has disorder","180271","2020-10-21","18:00:00",""
"7120519","8.7768","0.0004","8.7768","0.0004","19.3349","0.0009","90","","90","","120","","1289.87","0.1","100","2","100","2","","","","","","","","3","P 65","P 65","170","","","","- C12 H6 O3 -","- C12 H6 O3 -","- C72 H36 O18 -","6","1","","Ferreira, Renan B.; Figueroa, Jose M.; Fagnani, Danielle E.; Abboud, Khalil A.; Castellano, Ronald K.","Benzotrifuran (BTFuran): a building block for π-conjugated systems","Chem. Commun.","2017","","","","","10.1039/C7CC04505K","","","0.71073","MoKα","","0.0313","0.0299","","","0.0783","0.0789","","","","","","1.11","","","","has coordinates","199623","2020-10-21","18:00:00",""
"7121633","9.0951","0.0001","9.0951","0.0001","38.8243","0.0009","90","","90","","120","","2781.31","0.08","100","2","100","2","","","","","","","","3","P 65","P 65","170","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C132 H168 O24 -","6","1","","Ivanova, Lena V.; Navale, Tushar S.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra","Towards the rational design of novel charge-transfer materials: biaryls with a dihedral angle-independent hole delocalization mechanism.","Chemical communications (Cambridge, England)","2018","54","46","5851","5854","10.1039/c8cc02595a","","","1.54178","CuKα","","0.0274","0.0274","","","0.0754","0.0754","","","","","","1.016","","","","has coordinates,has disorder","228292","2020-10-21","18:00:00",""
"7126979","10.1079","0.0009","10.1079","0.0009","21.838","0.003","90","","90","","120","","1932.3","0.4","299","2","299","","","","","","","","","7","P 65","P 65","170","","","","- C8 H10 Br N O4 Pb S -","- C8 H10 Br N O4 Pb S -","- C48 H60 Br6 N6 O24 Pb6 S6 -","6","1","","Song, Xueling; Peng, Chengdong; Xu, Xiaoxiang; Yin, Jinlin; Fei, Honghan","Efficient, broadband self-trapped white-light emission from haloplumbate-based metal-organic frameworks.","Chemical communications (Cambridge, England)","2020","56","69","10078","10081","10.1039/d0cc04473c","","","0.71073","MoKα","","0.0221","0.021","","","0.0533","0.0539","","","","","","1.033","","","","has coordinates,has disorder","255959","2020-10-21","18:00:00",""
"7127429","20.399","0.0012","20.399","0.0012","14.7613","0.0009","90","","90","","120","","5319.5","0.5","298","","298","","","","","","","","","6","P 65","P 65","170","","C2","","- C22 H36 Cl2 Co2 N10 O8 -","- C22 H36 Cl2 Co2 N10 O8 -","- C132 H216 Cl12 Co12 N60 O48 -","6","1","","Dolui, Dependu; Mir, Ab Qayoom; Dutta, Arnab","Probing the peripheral role of amines in photo- and electrocatalytic H<sub>2</sub> production by molecular cobalt complexes.","Chemical communications (Cambridge, England)","2020","56","94","14841","14844","10.1039/d0cc05786j","","","0.71073","MoKα","","0.0322","0.03","","","0.0863","0.0881","","","","","","0.9919","","","","has coordinates","259358","2020-12-01","01:45:37",""
"7128851","23.6705","0.0011","23.6705","0.0011","16.1646","0.0008","90","","90","","120","","7843.5","0.6","100","2","100","2","","","","","","","","7","P 65","P 65","170","","","","- C36 H47 F6 N9 Ni O5 S2 -","- C36 H47 F6 N9 Ni O4 S2 -","- C216 H282 F36 N54 Ni6 O24 S12 -","6","1","","Pandey, Pragati; Bera, Jitendra K.","Hydrosilylative reduction of primary amides to primary amines catalyzed by a terminal [Ni-OH] complex.","Chemical communications (Cambridge, England)","2021","57","73","9204","9207","10.1039/d1cc03537a","","","0.71073","MoKα","","0.0652","0.0449","","","0.1031","0.1117","","","","","","1.028","","","","has coordinates,has disorder","269617","2021-10-06","13:47:30",""
"7129706","12.716","0.002","12.716","0.002","22.693","0.004","90","","90","","120","","3177.8","0.9","130","","130","","","","","","","","","5","P 65","P 65","170","","","","- C22 H24 Br N O -","- C22 H24 Br N O -","- C132 H144 Br6 N6 O6 -","6","1","","Huang, Shuai; Zhang, Gao-Peng; Jiang, Yang-Jie; Yu, Fei-Le; Ding, Chang-Hua; Hou, Xuelong","Pd-Catalyzed Umpolung Asymmetric Allylic Alkylation of Hydrazones to Vicinal Tertiary and Quaternary Chiral Carbon Centers","Chemical Communications","2022","","","","","10.1039/D1CC07074F","","","0.71073","MoKα","","0.0872","0.0531","","","0.1132","0.1247","","","","","","1.046","","","","has coordinates","272945","2022-02-12","22:53:45",""
"7132576","18.9446","0.0009","18.9446","0.0009","22.0233","0.0011","90","","90","","120","","6845.2","0.6","100","2","100","2","","","","","","","","4","P 65","P 65","170","","","","- C50.56 H53.12 N6 O4.28 -","- C50.56 H53.12 N6 O4.28 -","- C303.36 H318.72 N36 O25.68 -","6","1","","Hokimoto, Yuya; Nakamura, Takashi","Synthesis of a macrocyclic oligomer of pyridylbenzoxazole utilizing dynamic covalent bonds and its unsymmetric conversion.","Chemical communications (Cambridge, England)","2024","60","10","1281","1284","10.1039/d3cc06216c","","","0.71073","MoKα","","0.0976","0.0709","","","0.2006","0.216","","","","","","1.548","","","","has coordinates,has disorder","289315","2024-02-04","10:59:30",""
"7151430","19.555","0.003","19.555","0.003","15.475","0.004","90","","90","","120","","5124.8","1.7","150","2","150","2","","","","","","","","5","P 65","P 65","170","","","","- C30 H39 N3 O6 S3 -","- C30 H39 N3 O6 S3 -","- C180 H234 N18 O36 S18 -","6","1","","Stones, Graham; Argouarch, Gilles; Kennedy, Alan R.; Sherrington, David C.; Gibson, Colin L.","The synthesis of an isopropyl substituted 1,4,7-triazacyclononane via an in situ sequential macrocyclisation method","Organic & Biomolecular Chemistry","2003","1","13","2357","","10.1039/b302887a","","","0.71069","MoKα","","0.1141","0.046","","","0.1105","0.1292","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151865","27.8075","0.0004","27.8075","0.0004","6.4708","0.0001","90","","90","","120","","4333.24","0.11","150","2","150","2","","","","","","","","5","P 65","P 65","170","","","","- C19 H18 Br N3 O6 -","- C19 H18 Br N3 O6 -","- C114 H108 Br6 N18 O36 -","6","1","","Griffen, Julia A.; Le Coz, Amélie M; Kociok-Köhn, Gabriele; Khan, Monika Ali; Stewart, Alan J. W.; Lewis, Simon E.","Expanding the chiral pool: oxidation of meta-bromobenzoic acid by R. eutrophus B9 allows access to new reaction manifolds.","Organic & biomolecular chemistry","2011","9","10","3920","3928","10.1039/c1ob05131h","","","1.54184","CuKα","","0.0418","0.0379","","","0.085","0.0864","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151988","9.7445","0.0002","9.7445","0.0002","37.3937","0.0005","90","","90","","120","","3075.02","0.1","150","","150","","","","","","","","synthesis as described","4","P 65","P 65","170","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C138 H132 N12 O24 -","6","1","","Cowley, Andrew R.; Hill, Thomas J.; Kocis, Petr; Moloney, Mark G.; Stevenson, Robert D.; Thompson, Amber L.","Spirocyclic systems derived from pyroglutamic acid.","Organic & biomolecular chemistry","2011","9","20","7042","7056","10.1039/c1ob05708a","","","0.71073","MoKα","","","0.0474","","","","0.0555","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152658","18.8854","0.0016","18.8854","0.0016","12.9167","0.0011","90","","90","","120","","3989.6","0.6","293","2","293","2","","","","","","","","4","P 65","P 65","170","","","","- C25 H31 N O9 -","- C25 H31 N O9 -","- C150 H186 N6 O54 -","6","1","","Huang, Xiao-Fei; Liu, Zhao-Min; Geng, Zhi-Cong; Zhang, Shao-Yun; Wang, Yong; Wang, Xing-Wang","Enantioselective construction of multifunctionalized spirocyclohexaneoxindoles through organocatalytic Michael-Aldol cyclization of isatin derived alkenes with linear dialdehydes.","Organic & biomolecular chemistry","2012","10","44","8794","8799","10.1039/c2ob26205c","","","0.7107","MoKα","","0.0961","0.0819","","","0.2295","0.2389","","","","","","1.091","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152800","12.3417","0.0011","12.3417","0.0011","28.361","0.005","90","","90","","120","","3741.1","0.8","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C24 H31 N3 O4 S -","- C24 H31 N3 O4 S -","- C144 H186 N18 O24 S6 -","6","1","","Grygorenko, Oleksandr O.; Zhersh, Sergey; Oliinyk, Bohdan V.; Shishkin, Oleg V.; Tolmachev, Andrey A.","Conformational behaviour of peptides containing a 2-pyrrolidinemethanesulfonic acid (2PyMS) residue.","Organic & biomolecular chemistry","2013","11","6","975","983","10.1039/c2ob27058g","","","0.71073","MoKα","","0.1571","0.0533","","","0.0689","0.0857","","","","","","0.885","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7153798","16.1494","0.0015","16.1494","0.0015","15.1345","0.0014","90","","90","","120","","3418.3","0.5","296","2","296","2","","","","","","","","6","P 65","P 65","170","","","","- C21 H24 F N O2 S -","- C21 H24 F N O2 S -","- C126 H144 F6 N6 O12 S6 -","6","1","","Wu, Lingmin; Xie, Chen; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Highly efficient and generalized asymmetric synthesis of quaternary stereogenic carbon-containing β-amino indanones/indanoles via Mannich-type additions between 1-indanones and N-tert-butanesulfinylketimines.","Organic & biomolecular chemistry","2014","12","26","4620","4627","10.1039/c4ob00489b","","","0.71073","MoKα","","0.0402","0.0357","","","0.0983","0.1016","","","","","","1.035","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7154132","12.38","0.005","12.38","0.005","42.393","0.017","90","","90","","120","","5627","4","173","","173","","","","","","","","","4","P 65","P 65","170","","Anti-HH photodimer of (S)-N-(1-methoxycarbonylethyl)-2-chromonecarboxamide","","- C39 H41 N3 O12 -","- C39 H41 N3 O12 -","- C234 H246 N18 O72 -","6","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0865","0.0631","","","0.1416","0.1557","","","","","","0.952","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7155584","25.1584","0.0008","25.1584","0.0008","24.8801","0.0007","90","","90","","120","","13637.9","0.7","100","0.1","100","0.1","","","","","","","","4","P 65","P 65","170","","","","- C21 H32 N2 O5 -","- C21 H32 N2 O5 -","- C378 H576 N36 O90 -","18","3","","Paikar, Arpita; Debnath, Mintu; Podder, Debasish; Sasmal, Supriya; Haldar, Debasish","Synthesis and structural investigation of 2-aminomethyl-3-(4-methoxy-phenyl)-propionic acid containing peptide analogue of amyloidogenic AS(6-7) sequence: Inhibition of fibril formation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00797C","","x-ray","0.71073","MoKα","","0.0736","0.0584","","","0.1484","0.1562","","","","","","1.052","","","","has coordinates","195536","2020-10-21","18:00:00",""
"7155596","15.8422","0.0017","15.8422","0.0017","11.1926","0.0012","90","","90","","120","","2432.7","0.5","130","","130","","","","","","","","organic synthesis","4","P 65","P 65","170","methyl 5-chloro-3-oxo-2-(4-oxopentan-2-yl)-2,3-dihydrobenzofuran-2-carboxylate","methyl 5-chloro-3-oxo-2-(4-oxopentan-2-yl)-2,3-dihydrobenzofuran-2-carboxylate","","- C15 H15 Cl O5 -","- C15 H15 Cl O5 -","- C90 H90 Cl6 O30 -","6","1","","Wang, Haojiang; Wang, Yifeng; Zhang, Cheng; Jiang, Yidong; Chu, Mingming; Li, Zhaobo; Du, Xiaohua; Xu, Danqian","Asymmetric conjugate additions of 2-substituted benzofuran-3(2H)-ones to α,β-unsaturated ketones catalyzed by chiral copper complexes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00677B","","","0.71073","MoKα","","0.0719","0.0535","","","0.1541","0.1733","","","","","","0.924","","","","has coordinates,has disorder","195800","2020-10-21","18:00:00",""
"7157793","11.0913","0.0001","11.0913","0.0001","92.9928","0.0005","90","","90","","120","","9907.06","0.14","123","2","123","2","","","","","","","","3","P 65","P 65","170","","","","- C70 H92 O26 -","- C70 H92 O26 -","- C420 H552 O156 -","6","1","","Kikuchi, Takashi; Akita, Keiko; Koike, Hiroki; In, Yasuko; Yamada, Takeshi; Tanaka, Reiko","Carapanins A‒C: new limonoids from andiroba (Carapa guianensis) fruit oil","Organic & Biomolecular Chemistry","2020","18","45","9268","9274","10.1039/D0OB01872D","","","1.54184","CuKα","","0.0952","0.0948","","","0.2282","0.2284","","","","","","1.163","","","","has coordinates","259462","2020-12-02","05:38:34",""
"7158531","32.26794","0.00016","32.26794","0.00016","6.19392","0.00004","90","","90","","120","","5585.2","0.05","120","2","120","2","","","","","","","","3","P 65","P 65","170","","","","- C25 H42 O4 -","- C25 H42 O4 -","- C150 H252 O24 -","6","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0247","0.0243","","","0.0631","0.0634","","","","","","1.047","","","","has coordinates","275055","2022-05-05","20:54:02",""
"7158602","11.311","0.003","11.311","0.003","25.025","0.016","90","","90","","120","","2773","2","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C96 H156 N12 O18 S6 -","6","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0697","0.0401","","","0.0701","0.0807","","","","","","1.013","","","","has coordinates","274092","2022-03-30","00:22:34",""
"7206668","10.9374","0.0002","10.9374","0.0002","21.0837","0.0008","90","","90","","120","","2184.27","0.1","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H19 Gd O7 -","- C12 H17 Gd O7 -","- C72 H102 Gd6 O42 -","6","1","","Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures","CrystEngComm","2011","13","22","6827","","10.1039/c1ce05604b","","","0.71073","MoKα","","0.0197","0.0191","","","0.04","0.0404","","","","","","1.136","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206669","10.9106","0.0002","10.9106","0.0002","20.9713","0.0007","90","","90","","120","","2161.99","0.09","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H19 O7 Tb -","- C12 H17 O7 Tb -","- C72 H102 O42 Tb6 -","6","1","","Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures","CrystEngComm","2011","13","22","6827","","10.1039/c1ce05604b","","","0.71073","MoKα","","0.0209","0.0203","","","0.0465","0.0469","","","","","","1.074","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206670","10.9445","0.0001","10.9445","0.0001","21.1465","0.0005","90","","90","","120","","2193.62","0.06","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H19 Eu O7 -","- C12 H19 Eu O7 -","- C72 H114 Eu6 O42 -","6","1","","Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures","CrystEngComm","2011","13","22","6827","","10.1039/c1ce05604b","","","0.71073","MoKα","","0.0193","0.0185","","","0.0418","0.0424","","","","","","1.104","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206671","10.8956","0.0002","10.8956","0.0002","20.9289","0.0012","90","","90","","120","","2151.69","0.14","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H19 Dy O7 -","- C12 H17 Dy O7 -","- C72 H102 Dy6 O42 -","6","1","","Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures","CrystEngComm","2011","13","22","6827","","10.1039/c1ce05604b","","","0.71073","MoKα","","0.0244","0.0213","","","0.0372","0.0379","","","","","","1.058","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7207103","10.5423","0.0017","10.5423","0.0017","20.448","0.004","90","","90","","120","","1968.1","0.6","298","2","298","2","","","","","","","","5","P 65","P 65","170","","","","- C13 H11 Cd N O6 -","- C13 H11 Cd N O6 -","- C78 H66 Cd6 N6 O36 -","6","1","","Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong","Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand","CrystEngComm","2012","14","1","63","","10.1039/c1ce05995e","","","0.71073","MoKα","","0.026","0.0242","","","0.0507","0.0516","","","","","","1.056","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207105","10.2531","0.0002","10.2531","0.0002","20.2456","0.0006","90","","90","","120","","1843.2","0.07","150","2","150","2","","","","","","","","5","P 65","P 65","170","","","","- C13 H11 N O6 Zn -","- C13 H11 N O6 Zn -","- C78 H66 N6 O36 Zn6 -","6","1","","Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong","Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand","CrystEngComm","2012","14","1","63","","10.1039/c1ce05995e","","","1.54178","CuKα","","0.024","0.0235","","","0.0595","0.0597","","","","","","1.076","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7209920","20.5909","0.0004","20.5909","0.0004","28.3082","0.0009","90","","90","","120","","10394.3","0.4","293","2","293","2","","","","","","","","6","P 65","P 65","170","","","","- C63 H72 Cd3 K3 N3 O30 -","- C63 H72 Cd3 K3 N3 O30 -","- C378 H432 Cd18 K18 N18 O180 -","6","1","","Liu, Yuecheng; Zhang, Huabin; Tian, Chongbin; Lin, Ping; Du, Shaowu","Interweaving of two enantiomorphic 3D Cd(ii)/K(i) coordination polymers with homochiral unequal triple concentric helical chains","CrystEngComm","2013","15","26","5201","","10.1039/c3ce40397a","","","0.71073","MoKα","","","0.0308","","","0.0734","0.0746","","","","","","1.072","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7213660","18.2186","0.0006","18.2186","0.0006","8.688","0.0003","90","","90","","120","","2497.36","0.14","295","2","295","2","","","","","","","","5","P 65","P 65","170","","","","- C15 H13 N Na2 O5 -","- C15 H13 N Na2 O5 -","- C90 H78 N6 Na12 O30 -","6","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0788","0.0491","","","0.1173","0.132","","","","","","1.06","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7214921","14.7327","0.0018","14.7327","0.0018","46.389","0.011","90","","90","","120","","8720","3","223","2","223","2","","","","","","","","6","P 65","P 65","170","","","","- C37 H68 Ca Cl2 N20 O29 -","- C37 H36 Ca Cl2 N20 O17 -","- C222 H216 Ca6 Cl12 N120 O102 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril","CrystEngComm","2012","14","23","8049","","10.1039/c2ce25958c","","","0.71073","MoKα","","0.0825","0.0762","","","0.2124","0.2189","","","","","","1.032","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7220028","23.9467","0.0016","23.9467","0.0016","21.2999","0.001","90","","90","","120","","10577.9","1.1","100","0.1","100","0.1","","","","","","","","4","P 65","P 65","170","","","","- C21 H27 N3 O9 -","- C21 H27 N3 O9 -","- C378 H486 N54 O162 -","18","3","","Paikar, Arpita; Pramanik, Apurba; HALDAR, DEBASISH","Influence of side-chains interactions on the self-assembly of discotic tricarboxyamides: A crystallographic insight","RSC Adv.","2015","","","","","10.1039/C5RA03864B","","x-ray","0.71073","MoKα","","0.1671","0.0783","","","0.1388","0.1678","","","","","","0.937","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7223836","28.2798","0.0011","28.2798","0.0011","5.9321","0.0003","90","","90","","120","","4108.6","0.3","170","2","170","","","","","","","","","3","P 65","P 65","170","","vitamin D3","","- C27 H44 O -","- C27 H44 O -","- C162 H264 O6 -","6","1","","Wang, Jian-Rong; Zhu, Bingqing; Yu, Qihui; Mei, Xuefeng","Selective crystallization of vitamin D3for the preparation of novel conformational polymorphs with distinctive chemical stability","CrystEngComm","2016","18","7","1101","","10.1039/C5CE02431E","","","0.71073","MoKα","","0.1118","0.0654","","","0.1492","0.1728","","","","","","1.021","","","","has coordinates,has disorder","177739","2020-10-21","18:00:00",""
"7230567","9.643","0.002","9.643","0.002","32.282","0.008","90","","90","","120","","2599.7","1","293","2","293","2","","","","","","","","6","P 65","P 65","170","","rac-1-benzyl-3-bromo-4-[(4-bromophenyl)sulfanyl]-5-hydroxy-1,5-dihydro-2H-pyrrol-2-one","","- C17 H13 Br2 N O2 S -","- C17 H13 Br2 N O2 S -","- C102 H78 Br12 N6 O12 S6 -","6","1","","Lodochnikova, Olga A.; Zaripova, Aigul R.; Fayzullin, Robert R.; Samigullina, Aida I.; Vandyukova, Irina I.; Potapova, Lubov N.; Kurbangalieva, Almira R.","“Doubly enantiophobic” behavior during crystallization of racemic 1,5-dihydro-2H-pyrrol-2-one thioether","CrystEngComm","2018","20","23","3218","","10.1039/C8CE00369F","","x-ray","0.71073","MoKα","","0.061","0.0437","","","0.107","0.1174","","","","","","1.036","","","","has coordinates,has disorder","229109","2020-10-21","18:00:00",""
"7230740","13.5583","0.0002","13.5583","0.0002","45.7998","0.0006","90","","90","","120","","7291.3","0.18","110.05","0.1","110.05","0.1","","","","","","","","3","P 65","P 65","170","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C360 H336 O72 -","24","4","","Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.","Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen‒Schmidt reactions of dihydrolevoglucosenone (Cyrene®)","Green Chemistry","2018","20","19","4423","","10.1039/C8GC01227J","","x-ray","1.54184","CuKα","","0.0914","0.0909","","","0.2298","0.2302","","","","","","1.072","","","","has coordinates","230100","2020-10-21","18:00:00",""
"7234639","18.26","0.002","18.26","0.002","5.0477","0.0008","90","","90","","120","","1457.6","0.3","296","2","296","2","","","","","","","","3","P 65","P 65","170","","","","- C10 H9 N3 -","- C10 H9 N3 -","- C60 H54 N18 -","6","1","","Ajith R. Mallia; Ramarani Sethy; Vinayak Bhat; Mahesh Hariharan","Crystallization induced enhanced emission in conformational polymorphs of a rotationally flexible molecule","Journal of Materials Chemistry C","2016","4","","2931","2935","10.1039/C5TC03188E","","","0.71073","MoKα","","0.0923","0.053","","","0.1471","0.1777","","","","","","1.132","","","","has coordinates","219364","2020-10-21","18:00:00",""
"7237088","11.5965","0.0008","11.5965","0.0008","10.5437","0.0006","90","","90","","120","","1227.94","0.14","293","2","293","2","","","","","","","","4","P 65","P 65","170","","","","- C5 H6 Cu O6 -","- C5 H6 Cu O6 -","- C30 H36 Cu6 O36 -","6","1","","Pasán, Jorge; Sanchiz, Joaquín; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Magnetostructural relationships in polymorphic ethylmalonate-containing copper(ii) coordination polymers","CrystEngComm","2018","20","46","7464","","10.1039/C8CE01595C","","x-ray","0.71073","MoKα","","0.0558","0.0509","","","0.1333","0.1356","","","","","","1.159","","","","has coordinates","236814","2020-10-21","18:00:00",""
"7238581","14.531","0.001","14.531","0.001","46.07","0.007","90","","90","","120","","8424.4","1.5","223","2","223","2","","","","","","","","5","P 65","P 65","170","compound2b","","","- C36 H58 Dy N23 O32 -","- C36 H34 Dy N20 O23 -","- C216 H204 Dy6 N120 O138 -","6","1","","Chen, Kai; Hu, Ying-Feng; Xiao, Xin; Xue, Sai-Feng; Tao, Zhu; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin","Homochiral 1D-helical coordination polymers from achiral cucurbit[5]uril: hydroquinone-induced spontaneous resolution","RSC Advances","2012","2","8","3217","","10.1039/c2ra01132h","","","0.71073","MoKα","","0.0583","0.0517","","","0.1298","0.1328","","","","","","1.069","","","","has coordinates","244241","2020-10-21","18:00:00",""
"7239867","11.4162","0.0004","11.4162","0.0004","20.9435","0.0007","90","","90","","120","","2363.87","0.14","296","2","296","2","","","","","","","","5","P 65","P 65","170","<i>N</i>'-[(<i>Z</i>)-1,3-benzodioxol-5-ylmethylidene]-4-methyl benzenesulfonohydrazide","<i>N</i>'-[(<i>Z</i>)-1,3-benzodioxol-5-ylmethylidene]-4-methyl benzenesulfonohydrazide","","- C15 H14 N2 O4 S -","- C15 H14 N2 O4 S -","- C90 H84 N12 O24 S6 -","6","1","","Rahman, Mohammed M.; Hussain, Mohammad Musarraf; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","The synthesis and application of (E)-N′-(benzo[d]dioxol-5-ylmethylene)-4-methyl-benzenesulfonohydrazide for the detection of carcinogenic lead","RSC Advances","2020","10","9","5316","5327","10.1039/C9RA09080K","","","0.71073","MoKα","","0.0851","0.0458","","","0.1219","0.1426","","","","","","1.011","","","","has coordinates","258093","2020-10-21","18:00:00",""
"7240692","9.8466","0.0004","9.8466","0.0004","29.7164","0.0012","90","","90","","120","","2495.17","0.18","100","2","100","2","","","","","","","","4","P 65","P 65","170","","","","- C19 H20 N4 O -","- C19 H20 N4 O -","- C114 H120 N24 O6 -","6","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.1011","0.065","","","0.1651","0.1916","","","","","","0.948","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7242908","17.676","0.0004","17.676","0.0004","13.136","0.0004","90","","90","","120","","3554.36","0.16","156","2","156","2","","","","","","","","4","P 65","P 65","170","","","","- C25 H35 N O5 -","- C25 H35 N O5 -","- C150 H210 N6 O30 -","6","1","","Yi, Xue-Wen; He, Juan; Sun, Li-Tang; Liu, Ji-Kai; Wang, Guo-Kai; Feng, Tao","3-Decalinoyltetramic acids from kiwi-associated fungus Zopfiella sp. and their antibacterial activity against Pseudomonas syringae","RSC Advances","2021","11","31","18827","18831","10.1039/D1RA02120F","","","1.54178","CuKα","","0.0299","0.0285","","","0.0676","0.0688","","","","","","1.077","","","","has coordinates","265495","2021-05-26","04:21:46",""
"7243905","15.4575","0.0009","15.4575","0.0009","88.791","0.007","90","","90","","120","","18373","2","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C108 H84 N18 O36 Zn3 -","- C108 H84 N18 O36 Zn3 -","- C648 H504 N108 O216 Zn18 -","6","1","","Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode","CrystEngComm","2021","23","48","8546","8552","10.1039/D1CE01332G","","","0.71073","MoKα","","0.1519","0.1067","","","0.29","0.319","","","","","","1.128","","","","has coordinates,has disorder","271841","2022-01-06","21:15:54",""
"7243907","15.3498","0.0004","15.3498","0.0004","84.37","0.003","90","","90","","120","","17215.7","0.9","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C108 H88 N18 O38 Zn3 -","- C108 H84 N18 O38 Zn3 -","- C648 H504 N108 O228 Zn18 -","6","1","","Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode","CrystEngComm","2021","23","48","8546","8552","10.1039/D1CE01332G","","","0.71073","MoKα","","0.1355","0.1171","","","0.2976","0.3111","","","","","","1.237","","","","has coordinates","271841","2022-01-06","21:15:54",""
"7244208","9.1983","0.0007","9.1983","0.0007","43.795","0.004","90","","90","","120","","3209","0.5","150","","150","","","","","","","","","6","P 65","P 65","170","","","","- C10 H28 F12 Mn N6 P2 -","- C10 H28 F12 Mn N6 P2 -","- C60 H168 F72 Mn6 N36 P12 -","6","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0601","0.0478","","","0.1168","0.1251","","","","","","1.024","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7247361","9.3938","0.0003","9.3938","0.0003","22.5064","0.0008","90","","90","","120","","1719.96","0.1","100.02","","100.02","","","","","","","","","5","P 65","P 65","170","","","","- C10 H13 Cd N O5 -","- C10 H13 Cd N O5 -","- C60 H78 Cd6 N6 O30 -","6","1","","Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.","Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects","CrystEngComm","2023","25","38","5428","5435","10.1039/D3CE00784G","","","0.71073","MoKα","","0.0312","0.0277","","","0.0465","0.0474","","","","","","1.027","","","","has coordinates,has disorder","286747","2023-10-06","00:08:25",""
"7248340","11.2868","0.0011","11.2868","0.0011","27.13","0.002","90","","90","","120","","2993.1","0.5","288","2","288","","","","","","","","","5","P 65","P 65","170","","","","- C14 H26 N2 O5 S -","- C14 H26 N2 O5 S -","- C84 H156 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","","0.71073","MoKα","","0.2396","0.0859","","","0.1623","0.2175","","","","","","1.0392","","","","has coordinates","291591","2024-05-05","02:12:22",""
"7248341","11.239","0.004","11.239","0.004","27.0392","0.001","90","","90","","120","","2957.9","1.5","188","2","188.15","","","","","","","","","5","P 65","P 65","170","","","","- C14.25 H26 N2 O5.51 S -","- C14.254 H26 N2 O5.508 S -","- C85.524 H156 N12 O33.048 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","","0.71075","MoKα","","0.101","0.0525","","","0.1424","0.1886","","","","","","0.8487","","","","has coordinates,has disorder","291591","2024-05-05","02:12:28",""
"7248342","11.2333","0.0009","11.2333","0.0009","27.046","0.002","90","","90","","120","","2955.6","0.4","238","","238","","","","","","","","","5","P 65","P 65","170","","","","- C14 H26 N2 O5 S -","- C14 H26 N2 O5 S -","- C84 H156 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","x-ray","0.71073","MoKα","","0.2013","0.0815","","","0.1848","0.246","","","","","","0.9909","","","","has coordinates","291591","2024-05-05","02:12:28",""
"7248343","11.3887","0.0008","11.3887","0.0008","27.3424","0.0002","90","","90","","120","","3071.3","0.3","188","2","188.15","","","","","","","","","5","P 65","P 65","170","","","","- C16 H30 N2 O5 S -","- C16 H30 N2 O5 S -","- C96 H180 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","x-ray","0.71073","MoKα","","0.1359","0.0754","","","0.1414","0.1646","","","","","","1.0308","","","","has coordinates","291591","2024-05-05","02:12:28",""
"7248344","11.4929","0.0007","11.4929","0.0007","27.9288","0.0018","90","","90","","120","","3194.8","0.3","188","2","188.15","","","","","","","","","5","P 65","P 65","170","","","","- C17 H32 N2 O5 S -","- C17 H32 N2 O5 S -","- C102 H192 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","x-ray","0.71073","MoKα","","0.1203","0.0732","","","0.1499","0.17","","","","","","1.0291","","","","has coordinates","291591","2024-05-05","02:12:28",""
"7248345","11.1876","0.0008","11.1876","0.0008","26.9537","0.0018","90","","90","","120","","2921.6","0.4","188","2","188.15","","","","","","","","","5","P 65","P 65","170","","","","- C14 H26 N2 O5 S -","- C14 H26 N2 O5 S -","- C84 H156 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","x-ray","0.71073","MoKα","","0.1442","0.0774","","","0.1692","0.1984","","","","","","1.0289","","","","has coordinates","291591","2024-05-05","02:12:28",""
"7704241","21.649","0.0015","21.649","0.0015","24.0739","0.0018","90","","90","","120","","9771.3","1.2","100","","100","","","","","","","","see text","7","P 65","P 65","170","","","","- C64 H71 B F15 N3 O Si2 -","- C64 H71 B F15 N3 O Si2 -","- C384 H426 B6 F90 N18 O6 Si12 -","6","1","","Reiter, Dominik; Frisch, Philipp; Wendel, Daniel; Hörmann, Fabian M; Inoue, Shigeyoshi","Oxidation reactions of a versatile, two-coordinate, acyclic iminosiloxysilylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7060","7068","10.1039/d0dt01522a","","x-ray","0.71073","MoKα","","0.0393","0.0387","","","0.0983","0.0987","","","","","","1.096","","","","has coordinates,has disorder","252833","2020-10-21","18:00:00",""
"7706802","15.7581","0.0017","15.7581","0.0017","15.4225","0.0016","90","","90","","120","","3316.6","0.6","150","2","150","2","","","","","","","","6","P 65","P 65","170","","","","- C17 H26 Au Cl3 N2 O -","- C17 H26 Au Cl3 N2 O -","- C102 H156 Au6 Cl18 N12 O6 -","6","1","","Jónsson, Helgi Freyr; Orthaber, Andreas; Fiksdahl, Anne","Studies on gold(I) and gold(III) alcohol functionalised NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5128","5138","10.1039/d1dt00387a","","x-ray","0.71073","MoKα","","0.0388","0.0314","","","0.0633","0.0656","","","","","","0.939","","","","has coordinates","266082","2021-06-05","18:52:56",""
"7706979","12.2603","0.0006","12.2603","0.0006","33.2599","0.0016","90","","90","","120","","4329.7","0.4","100","2","100","","","","","","","","","6","P 65","P 65","170","","Tris((1R,2R)-(+)-1,2-diaminocyclohexane)Chromium(III)ChloridePentahydrate","","- C18 H52 Cl3 Cr N6 O5 -","- C18 H52 Cl3 Cr N6 O5 -","- C108 H312 Cl18 Cr6 N36 O30 -","6","1","","Campanella, Anthony J.; Nguyen, Manh-Thuong; Zhang, Jun; Ngendahimana, Thacien; Antholine, William E.; Eaton, Gareth R.; Eaton, Sandra S.; Glezakou, Vassiliki-Alexandra; Zadrozny, Joseph M.","Ligand control of low-frequency electron paramagnetic resonance linewidth in Cr(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5342","5350","10.1039/d1dt00066g","","","0.71073","MoKα","","0.0608","0.0561","","","0.1251","0.1288","","","","","","1.081","","","","has coordinates,has disorder","266080","2021-06-05","18:52:31",""
"7711025","16.9078","0.0001","16.9078","0.0001","19.2787","0.0001","90","","90","","120","","4772.9","0.05","150","2","150","2","","","","","","","","7","P 65","P 65","170","","","","- C29 H34 Cl N3 O3 Ru S2 -","- C29 H34 Cl N3 O3 Ru S2 -","- C174 H204 Cl6 N18 O18 Ru6 S12 -","6","1","","Khamis, Noha; Clarkson, Guy James; Wills, Martin","Heterocycle-containing Noyori-Ikariya Catalysts for Asymmetric Transfer Hydrogenation of Ketones","Dalton Transactions","2022","","","","","10.1039/D2DT02411J","","x-ray","1.54184","CuKα","","0.0426","0.0424","","","0.1128","0.1132","","","","","","1.089","","","","has coordinates,has disorder","277329","2022-08-19","22:59:25",""
"7712249","23.733","0.0014","23.733","0.0014","10.7187","0.0009","90","","90","","120","","5228.5","0.6","90","2","90","2","","","","","","","","6","P 65","P 65","170","","","","- C40.5 H48.5 Cl N3 Ni O0.25 -","- C39 H46 Cl N3 Ni -","- C234 H276 Cl6 N18 Ni6 -","6","1","","Chiu, Weiling; Nadeau, Ben E.; Patrick, Brian O.; Love, Jennifer","Investigating the Mechanism of Ni-Mediated Trifluoromethylthiolation of Aryl Halides using AgSCF3","Dalton Transactions","2023","","","","","10.1039/D2DT03758K","","x-ray","0.71073","MoKα","","0.0274","0.0246","","","0.0578","0.0593","","","","","","1.024","","","","has coordinates,has disorder","280716","2023-02-01","00:02:16",""
"8100267","11.2105","0.0015","11.2105","0.0015","21.582","0.004","90","","90","","120","","2349","0.6","298","2","298","2","","","","","","","","6","P 65","P 65","170","","","","- C10 H18 Cu N2 O9 S -","- C10 H18 Cu N2 O9 S -","- C60 H108 Cu6 N12 O54 S6 -","6","1","","Yuan, Ji-Xin; Hu, Mao-Lin; Song, Xin-Yuan","Crystal structure of triaqua-4,4'-bipyridinecopper(II) sulfate dihydrate, [Cu(4,4'-bpy)(H~2~O)~3~](SO~4~) · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","93","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","288271","2023-12-12","22:25:27",""
"8100420","9.7111","0.0006","9.7111","0.0006","16.0115","0.001","90","","90","","120","","1307.67","0.14","293","2","293","2","","","","","","","","6","P 65","P 65","170","","","","- B Cd H6 Li O11 P2 -","- B Cd H6 Li O11 P2 -","- B6 Cd6 H36 Li6 O66 P12 -","6","1","","Ge, Ming-Hui; Mi, Jin-Xiao; Huang, Ya-Xi; Zhao, Jing-Tai; Kniep, Rüdiger","Crystal structure of lithium cadmium diaqua catena-[monoboro-diphosphate]- monohydrate, LiCd(H~2~O)~2~[BP~2~O~8~] · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","3","273","274","10.1524/ncrs.2003.218.3.273","","","","","","","","","","","","","","","","","","","","","has coordinates","256926","2020-10-21","18:00:00",""
"8101591","9.429","0.002","9.429","0.002","19.234","0.004","90","","90","","120","","1480.9","0.5","293","2","293","2","","","","","","","","4","P 65","P 65","170","(S)-3,6,8-trimethylcaffolide","","","- C8 H9 N3 O5 -","- C8 H9 N3 O5 -","- C48 H54 N18 O30 -","6","1","","Poje, Nevenka; Poje, Mirko; Vicković, Ivan","Crystal structure of (S)-1-oxa-3,6,8-triaza-3,6,8-trimethylspiro- [4.4]nonane-2,4,7,9-tetraone, C~8~H~9~N~3~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","533","534","","","","","","","","0.0356","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102283","10.58","0.02","10.58","0.02","26.58","0.07","90","","90","","120","","2577","10","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C108 H120 N12 O36 -","6","1","","Mei-Li Zhang; Xiao-Ming Gao; Dan-Jun Wang; Li Guo; Ji-Wu Wang","Crystal structure of N,N'-bis(4-hydroxy-3-methoxybenzyl)oxalamide, C18H20N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","2","173","","","","","0.71073","MoKα","","0.098","0.0637","","","0.1466","0.1729","","","","","","1.002","","","","has coordinates","211175","2020-10-21","18:00:00",""
"9017408","7.112","","7.112","","25.4089","","90","","90","","120","","1113.01","","","","","","","","","","","","theoretical","3","P 65","P 65","170","","","Vaterite","- C Ca O3 -","- C18 Ca18 O54 -","- C18 Ca18 O54 -","","","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","A new structural model for disorder in vaterite from first-principles calculations","CrystEngComm","2012","14","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:00",""