# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T09:21:18+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Molbank') 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
"1557478","15.552","0.007","4.355","0.002","16.234","0.007","90","","107.41","0.011","90","","1049.1","0.8","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C40 H52 N4 O16 -","4","1","","Aitken, R.; Bloomfield, Charles; McGeachie, Liam; Slawin, Alexandra","Diethyl Pyrrole-2,5-Dicarboxylate","Molbank","2020","2020","1","M1117","","10.3390/M1117","","","1.54187","CuKα","","0.0654","0.0607","","","0.1456","0.1519","","","","","","0.963","","","","has coordinates","249073","2020-10-21","18:00:00",""
"1558005","15.7937","0.0003","7.4944","0.0001","20.8812","0.0002","90","","97.436","0.0013","90","","2450.8","0.06","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O6 -","- C25 H34 O6 -","- C100 H136 O24 -","4","2","","Kanno, Yuichiro; Kusakabe, Taichi; Saito, Nao; Kikkawa, Shoko; Takahashi, Keisuke; Azumaya, Isao; Nemoto, Kiyomitsu; Kato, Keisuke","Improved Synthesis and Determination of the Biologically Active Diastereomer of YK11","Molbank","2020","2020","2","M1125","","10.3390/M1125","","","1.54187","CuKα","","0.041","0.0408","","","0.1132","0.1136","","","","","","1.056","","","","has coordinates","251752","2020-10-21","18:00:00",""
"1558006","4.7803","0.0002","25.1943","0.0014","11.434","0.0006","90","","92.369","0.005","90","","1375.89","0.12","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N O3 S2 -","- C13 H17 N O3 S2 -","- C52 H68 N4 O12 S8 -","4","1","","Aitken, R. Alan; Fotherby, Fiona M.; Slawin, Alexandra M. Z.","2,6-exo-8,12-exo-10-Butyl-13-oxa-3,5-dithia-10-azatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione","Molbank","2020","2020","2","M1123","","10.3390/M1123","","","1.54184","CuKα","","0.0556","0.0463","","","0.1332","0.1406","","","","","","1.061","","","","has coordinates","251753","2020-10-21","18:00:00",""
"1558194","9.4765","0.0003","9.2067","0.0003","24.1253","0.0007","90","","92.1209","0.0007","90","","2103.43","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Br N O6 -","- C23 H18 Br N O6 -","- C92 H72 Br4 N4 O24 -","4","1","","Ryzhkova, Yuliya E.; Ryzhkov, Fedor V.; Elinson, Michail N.","3-(4-Bromophenyl)-4-{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl](m-tolyl)methyl}isoxazol-5(2H)-one","Molbank","2020","2020","2","M1135","","10.3390/M1135","","","0.71073","MoKα","","0.0604","0.04","","","0.0893","0.1023","","","","","","1.046","","","","has coordinates","252945","2020-10-21","18:00:00",""
"1558802","5.5972","0.0002","15.0183","0.0006","16.7717","0.0006","90","","90","","90","","1409.84","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","1","","Konstantinova, Lidia S.; Tolmachev, Mikhail A.; Popov, Vadim V.; Rakitin, Oleg A.","Ethyl 11a,12-Dihydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine-5a(6H)-carboxylate","Molbank","2020","2020","3","M1149","","10.3390/M1149","","","0.71073","MoKα","","0.0423","0.0345","","","0.0855","0.0914","","","","","","1.04","","","","has coordinates","255133","2020-10-21","18:00:00",""
"1559276","7.8666","0.0009","10.2719","0.0013","11.8789","0.0015","87.557","0.009","77.371","0.008","73.908","0.007","899.8","0.2","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H13 Cl -","- C10 H13 Cl -","- C40 H52 Cl4 -","4","2","","Aitken, R. Alan; Slawin, Alexandra M. Z.","2,4,6-Trimethylbenzyl Chloride (α2-Chloroisodurene)","Molbank","2020","2020","3","M1156","","10.3390/M1156","","","0.71075","MoKα","","0.0304","0.029","","","0.089","0.0901","","","","","","1.063","","","","has coordinates","258174","2020-10-21","18:00:00",""
"1559475","15.8302","0.0005","10.138","0.0003","14.2916","0.0007","90","","114.267","0.001","90","","2090.95","0.14","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C88 H104 N8 O24 -","8","1","","Hajib, Sara; Boukhssas, Salaheddine; Aouine, Younas; Alami, Anouar; Faraj, Hassane; Zouihri, Hafid; El Bali, Brahim; Lachkar, Mohammed","4,4-Bis(hydroxymethyl)-2-phenyl-2-oxazoline","Molbank","2020","2020","4","M1163","","10.3390/M1163","","","0.71073","MoKα","","0.0529","0.0439","","","0.1213","0.1289","","","","","","1.065","","","","has coordinates,has Fobs","277994","2022-09-20","08:32:41",""
"1559712","8.5598","0.0014","14.825","0.004","10.853","0.002","90","","108.57","0.013","90","","1305.5","0.5","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[1,3-dimethyltetrahydropyrimidin-2(1<i>H</i>)-iminium [tri-μ~2~-cyanido-κ^6^ C:<i>N</i>-dicuprate(I)]]","","- C9 H14 Cu2 N6 -","- C9 H14 Cu2 N6 -","- C36 H56 Cu8 N24 -","4","1","","Corfield, Peter W. R.; Dayrit, Joseph R.","Poly[1,3-Dimethyltetrahydropyrimidin-2(1H)-iminium [tri-µ2-cyanido-κ6C:N-dicuprate(I)]]","Molbank","2020","2020","4","M1170","","10.3390/M1170","","","0.7107","MoKα","","0.0523","0.0336","","","0.0893","0.0932","","","","","","1.07","","","","has coordinates,has disorder","259632","2020-12-06","21:26:36",""
"1559973","7.6002","0.0003","13.6714","0.0005","14.7436","0.0005","97.065","0.003","101.868","0.003","93.363","0.003","1482.24","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H40 Cl2 N2 Ni O4 -","- C29 H40 Cl2 N2 Ni O4 -","- C58 H80 Cl4 N4 Ni2 O8 -","2","1","","Lukyanov, Daniil A.; Borisova, Anna S.; Levin, Oleg V.","6,6′-{[Ethane-1,2-diylbis(azaneylylidene)]bis(methaneylylidene)}bis[2-(hexyloxy)phenolato] Nickel(II)","Molbank","2020","2020","4","M1174","","10.3390/M1174","","x-ray","0.71073","MoKα","","0.051","0.0355","","","0.0759","0.0833","","","","","","1.043","","","","has coordinates","260831","2021-01-07","15:41:42",""
"1560280","4.8832","0.0007","7.5868","0.0012","35.478","0.006","90","","90","","90","","1314.4","0.4","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O7 -","- C11 H16 O7 -","- C44 H64 O28 -","4","1","","Aitken, R.; Haslett, Oliver; Slawin, Alexandra","(S)-1-(Ethoxycarbonyl)ethyl(2R,5S)-2,5-dimethyl-1,3-dioxolan-4-one-2-carboxylate","Molbank","2021","2021","1","M1178","","10.3390/M1178","","","0.71075","MoKα","","0.0385","0.036","","","0.0882","0.0899","","","","","","1.048","","","","has coordinates","261789","2021-02-05","09:09:54",""
"1562367","7.208","0.002","7.208","0.002","23.094","0.007","90","","90","","90","","1199.9","0.6","93","","93","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- C5 H12 N2 -","- C5 H12 N2 -","- C40 H96 N16 -","8","0.5","","Aitken, R. Alan; Sonecha, Dheirya K.; Slawin, Alexandra M. Z.","Homopiperazine (Hexahydro-1,4-diazepine)","Molbank","2021","2021","2","M1200","","10.3390/M1200","","","0.71075","MoKα","","0.0649","0.0637","","","0.1633","0.1641","","","","","","1.137","","","","has coordinates","264976","2021-05-06","00:15:19",""
"1563958","4.5333","0.0007","21.946","0.004","15.968","0.003","90","","95.627","0.004","90","","1581","0.5","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O5 -","- C18 H18 N2 O5 -","- C72 H72 N8 O20 -","4","1","","Spesivaya, Ekaterina S.; Lupanova, Ida A.; Konshina, Dzhamilya N.; Konshin, Valery V.","1,2-Bis(4-(1,3-dioxolan-2-yl)phenyl)diazene Oxide","Molbank","2021","2021","2","M1224","","10.3390/M1224","","","0.71073","MoKα","","0.1119","0.0636","","","0.1395","0.1635","","","","","","1.03","","","","has coordinates,has disorder","267265","2021-07-06","02:34:26",""
"1564550","9.1724","0.0014","17.714","0.004","4.444","0.0009","90","","90","","90","","722.1","0.2","173","","173","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C7 H6 Cl2 -","- C7 H6 Cl2 -","- C28 H24 Cl8 -","4","1","","Aitken, R. Alan; Slawin, Alexandra M. Z.","4-Chlorobenzyl Chloride","Molbank","2021","2021","3","M1265","","10.3390/M1265","","","0.71073","MoKα","","0.1195","0.0734","","","0.1874","0.2261","","","","","","0.983","","","","has coordinates","268995","2021-09-07","03:32:23",""
"1564852","9.62321","0.00017","5.73648","0.0001","45.1254","0.0008","90","","91.229","0.006","90","","2490.5","0.08","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 O3 Se2 -","- C30 H24 O3 Se2 -","- C120 H96 O12 Se8 -","4","1","","Kodama, Shintaro; Hung, Vu Thai; Saeki, Tomokazu; Mihara, Kei; Yamamoto, Yuki; Sonoda, Motohiro; Nomoto, Akihiro; Ogawa, Akiya","2,2-Bis(phenylselanyl)-1-(p-tolyl)vinyl 2-Oxo-2-(p-tolyl)acetate","Molbank","2021","2021","4","M1283","","10.3390/M1283","","","0.71075","MoKα","","0.0308","0.0264","","","0.0652","0.0672","","","","","","1.054","","","","has coordinates","269816","2021-10-07","04:41:33",""
"1564853","13.297","0.008","5.033","0.003","13.789","0.009","90","","90","","90","","922.8","1","93","","93","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H11 Br O2 -","- C9 H11 Br O2 -","- C36 H44 Br4 O8 -","4","1","","Aitken, R. Alan; Saab, Elizabeth A.; Slawin, Alexandra M. Z.","2,6-Dimethoxybenzyl Bromide","Molbank","2021","2021","3","M1277","","10.3390/M1277","","","0.71075","MoKα","","0.0281","0.0269","","","0.0654","0.0658","","","","","","1.084","","","","has coordinates","269817","2021-10-07","04:41:56",""
"1566318","8.165","0.0005","15.5778","0.0009","16.2365","0.001","77.7","0.001","87.359","0.002","83.158","0.003","2002.9","0.2","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Ag2 N4 S4 -","- C40 H46 Ag2 N4 S4 -","- C80 H92 Ag4 N8 S8 -","2","1","","Oladipo, Segun D.; Omondi, Bernard","N,N′-Diarylformamidine Dithiocarbamate Ag(I) Cluster and Coordination Polymer","Molbank","2022","2022","1","M1327","","10.3390/M1327","","x-ray","0.71073","MoKα","","0.061","0.0418","","","0.111","0.1196","","","","","","0.983","","","","has coordinates,has disorder","272803","2022-02-05","17:05:46",""
"1566319","30.0941","0.0006","30.0941","0.0006","50.6555","0.0011","90","","90","","120","","39730.1","1.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C156 H210 Ag6 N12 S12 -","- C156 H210 Ag6 N12 S12 -","- C1404 H1890 Ag54 N108 S108 -","9","0.5","","Oladipo, Segun D.; Omondi, Bernard","N,N′-Diarylformamidine Dithiocarbamate Ag(I) Cluster and Coordination Polymer","Molbank","2022","2022","1","M1327","","10.3390/M1327","","","0.71073","MoKα","","0.0869","0.0409","","","0.0866","0.1009","","","","","","0.935","","","","has coordinates","272804","2022-02-05","17:06:27",""
"1566320","14.6146","0.0012","15.4871","0.0008","5.3576","0.0003","90","","90","","90","","1212.63","0.14","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H5 Cl N2 O2 S3 -","- C10 H5 Cl N2 O2 S3 -","- C40 H20 Cl4 N8 O8 S12 -","4","1","","Plakas, Konstantinos; Kalogirou, Andreas S.; Kourtellaris, Andreas; Koutentis, Panayiotis A.","Reaction of 4,5-Dichloro-1,2,3-dithiazolium Chloride with 2-(Phenylsulfonyl)acetonitrile","Molbank","2022","2022","1","M1322","","10.3390/M1322","","","1.54184","CuKα","","0.0524","0.0431","","","0.1073","0.1141","","","","","","1.211","","","","has coordinates","272805","2022-02-05","17:06:56",""
"1566321","8.058","0.003","9.064","0.003","34.864","0.012","90","","92.718","0.011","90","","2543.5","1.5","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cl2 O2 -","- C14 H12 Cl2 O2 -","- C112 H96 Cl16 O16 -","8","2","","Aitken, R. Alan; Gidlow, Anna L. G.; Ramsewak, Russel S.; Slawin, Alexandra M. Z.","2,2′-(Ethane-1,2-diyl)bis(4-chlorophenol)","Molbank","2022","2022","1","M1318","","10.3390/M1318","","","0.71075","MoKα","","0.1042","0.0698","","","0.1756","0.1973","","","","","","1.06","","","","has coordinates","272806","2022-02-05","17:07:18",""
"1566567","7.8563","0.0008","9.2517","0.001","21.803","0.002","95.923","0.003","98.136","0.002","96.538","0.003","1547.1","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","JG1582","","- C36 H31 N5 O -","- C36 H31 N5 O -","- C72 H62 N10 O2 -","2","1","","Guillon, Jean; Savrimoutou, Solène; Albenque-Rubio, Sandra; Pinaud, Noël; Moreau, Stéphane; Desplat, Vanessa","Synthesis, Crystal Structure and Anti-Leukemic Activity of 1,3-Dihydro-1-{1-[4-(4-phenylpyrrolo[1,2-a]quinoxalin-3-yl)benzyl]piperidin-4-yl}-2H-benzimidazol-2-one","Molbank","2022","2022","1","M1333","","10.3390/M1333","","","0.71073","MoKα","","0.1386","0.0696","","","0.183","0.2094","","","","","","1.026","","","","has coordinates","273452","2022-03-05","17:43:10",""
"1566568","17.127","0.01","19.946","0.011","23.841","0.014","90","","105.715","0.007","90","","7840","8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H110 Cu4 O2 P6 -","- C80 H110 Cu4 O2 P6 -","- C320 H440 Cu16 O8 P24 -","4","1","","Dannenberg, Steven G.; Waterman, Rory","Cyclo-Tetrakis(μ-diphenylphosphido)-1,5-bis(tri-tert-butylphosphine)-Tetracopper","Molbank","2022","2022","1","M1334","","10.3390/M1334","","x-ray","0.71073","MoKα","","0.0533","0.0332","","","0.0787","0.0839","","","","","","0.951","","","","has coordinates","273453","2022-03-05","17:43:40",""
"1566569","10.5912","0.0005","18.7089","0.0006","16.071","0.0006","90","","102.093","0.004","90","","3113.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H37 Cl4 I N2 S -","- C27 H36 Cl I N2 S -","- C108 H144 Cl4 I4 N8 S4 -","4","1","","Saab, Marina; Nahra, Fady; Van Hecke, Kristof","Charge-Transfer Adducts of Chalcogenourea Derivatives of N-Heterocyclic Carbenes with Iodine Monochloride","Molbank","2022","2022","1","M1344","","10.3390/M1344","","","1.54184","CuKα","","0.1","0.0628","","","0.1552","0.1758","","","","","","1.015","","","","has coordinates","273454","2022-03-05","17:44:11",""
"1566570","9.741","0.0001","16.9218","0.0001","19.8068","0.0002","90","","97.399","0.001","90","","3237.67","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Cl3 I N2 Se -","- C30 H42 Cl3 I N2 Se -","- C120 H168 Cl12 I4 N8 Se4 -","4","1","","Saab, Marina; Nahra, Fady; Van Hecke, Kristof","Charge-Transfer Adducts of Chalcogenourea Derivatives of N-Heterocyclic Carbenes with Iodine Monochloride","Molbank","2022","2022","1","M1344","","10.3390/M1344","","x-ray","1.54184","CuKα","","0.0329","0.0284","","","0.0673","0.0697","","","","","","1.036","","","","has coordinates","273455","2022-03-05","17:44:38",""
"1566571","9.6243","0.0003","9.859","0.0002","12.5952","0.0003","68.645","0.002","72.467","0.002","75.23","0.002","1047.06","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 7-acetyl-8a-methyl-3-(1-phenyl-1H-tetrazol-5-yl)-1,4,4a,5,6,8a- hexahydro-7H-pyrano[2,3-c]pyridazine-1-carboxylate","","- C20 H24 N6 O4 -","- C20 H24 N6 O4 -","- C40 H48 N12 O8 -","2","1","","Lopes, Susana M. M.; Lemos, Américo; Paixão, José A.; Pinho e Melo, Teresa M. V. D.","Ethyl 7-Acetyl-8a-methyl-3-(1-phenyl-1H-tetrazol-5-yl)-1,4,4a,5,6,8a-hexahydro-7H-pyrano[2,3-c]pyridazine-1-carboxylate","Molbank","2022","2022","1","M1338","","10.3390/M1338","","","0.71073","MoKα","","0.0931","0.0465","","","0.1115","0.1359","","","","","","1.002","","","","has coordinates,has disorder","273456","2022-03-05","17:45:02",""
"1566572","10.1989","0.0005","8.7455","0.0004","15.8721","0.0009","90","","99.068","0.005","90","","1398.01","0.12","298","0.1","298","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H31 N O12 -","- C26 H31 N O12 -","- C52 H62 N2 O24 -","2","1","","Fitzgerald, Liam S.; O’Malley, Ciaran; Murphy, Paul V.","(1R,2R,3S,4R)-1-(Acetylamino)-2,4,5-tris(acetyloxy)-1-((2S)-4-(benzyloxy)-5-oxo-2,5-dihydrofuran-2-yl)pentan-3-yl Acetate","Molbank","2022","2022","1","M1337","","10.3390/M1337","","","0.71073","MoKα","","0.0959","0.0458","","","0.1076","0.1185","","","","","","0.795","","","","has coordinates,has disorder","273457","2022-03-05","17:45:26",""
"1566573","9.4547","0.0005","16.2237","0.0008","7.9004","0.0004","90","","104.169","0.003","90","","1174.98","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl N2 -","- C13 H13 Cl N2 -","- C52 H52 Cl4 N8 -","4","1","","Adeleke, Adesola A.; Omondi, Bernard","Crystal Structure of a Chiral Sec-Amine, 4-Chloro-N-(1-(pyridin-2-yl)ethyl)aniline","Molbank","2022","2022","1","M1335","","10.3390/M1335","","","0.71073","MoKα","","0.0375","0.0332","","","0.08","0.0829","","","","","","1.101","","","","has coordinates","273458","2022-03-05","17:45:49",""
"1566574","23.794","0.0011","5.347","0.0003","8.9367","0.0005","90","","96.216","0.004","90","","1130.3","0.1","200","","200","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C44 H40 N16 O12 -","4","1","","Pokhodylo, Nazariy T.; Slyvka, Yuriy I.; Goreshnik, Evgeny A.; Obushak, Mykola D.","Ethyl 5-Formyl-1-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylate: Synthesis, Crystal Structure, Hirshfeld Surface Analysis, and DFT Calculation","Molbank","2022","2022","1","M1340","","10.3390/M1340","","","1.54184","CuKα","","0.0347","0.0332","","","0.0887","0.0904","","","","","","1.072","","","","has coordinates","273459","2022-03-05","17:46:16",""
"1568599","20.845","0.0009","4.6353","0.0002","22.7163","0.0011","90","","107.329","0.005","90","","2095.29","0.17","100","2","100","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C12 H9 N5 -","- C12 H9 N5 -","- C96 H72 N40 -","8","1","","Ershov, Ivan S.; Esikov, Kirill A.; Nesterova, Olga M.; Skryl’nikova, Mariya A.; Khramchikhin, Andrey V.; Shmaneva, Nadezda T.; Chernov, Ivan S.; Chernova, Ekaterina N.; Puzyk, Aleksandra M.; Sivtsov, Eugene V.; Pavlyukova, Yuliya N.; Trifonov, Rostislav E.; Ostrovskii, Vladimir A.","3-(5-Phenyl-2H-tetrazol-2-yl)pyridine","Molbank","2023","2023","1","M1598","","10.3390/M1598","","x-ray","1.54184","CuKα","","0.0433","0.0386","","","0.0966","0.0996","","","","","","1.064","","","","has coordinates","281634","2023-03-05","21:04:46",""
"1569067","4.5908","0.0006","5.6201","0.0008","39.348","0.005","90","","90","","90","","1015.2","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 Cl O3 -","- C10 H13 Cl O3 -","- C40 H52 Cl4 O12 -","4","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Samigullina, Aida I.; Gubaidullin, Aidar T.","3-(2-Chloro-5-methylphenoxy)propane-1,2-diol","Molbank","2023","2023","2","M1624","","10.3390/M1624","","","0.71073","MoKα","","0.0458","0.037","","","0.065","0.0683","","","","","","1.059","","","","has coordinates","283542","2023-05-06","00:01:00",""
"1569068","5.4729","0.0009","8.7652","0.0014","21.37","0.003","90","","96.201","0.011","90","","1019.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Cl O3 -","- C10 H13 Cl O3 -","- C40 H52 Cl4 O12 -","4","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Samigullina, Aida I.; Gubaidullin, Aidar T.","3-(2-Chloro-5-methylphenoxy)propane-1,2-diol","Molbank","2023","2023","2","M1624","","10.3390/M1624","","","0.71073","MoKα","","0.1377","0.0768","","","0.1589","0.1863","","","","","","1.04","","","","has coordinates","283543","2023-05-06","00:01:19",""
"1569470","13.6616","0.0001","19.0942","0.0001","25.6524","0.0002","90","","101.455","0.001","90","","6558.33","0.08","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 -","- C44 H44 -","- C352 H352 -","8","2","","Colon-Madera, Shakira I.; Jennings, Abby R.; Iacono, Scott T.; Balaich, Gary J.","4,5-Di-tert-butyl-1,3,6,8-tetraphenyl-4,5,8a,8b-tetrahydro-as-indacene","Molbank","2023","2023","2","M1663","","10.3390/M1663","","x-ray","1.54184","CuKα","","0.0417","0.0353","","","0.0883","0.0917","","","","","","1.047","","","","has coordinates","285029","2023-07-06","06:47:38",""
"1569471","13.6682","0.0001","19.089","0.0001","25.666","0.0001","90","","101.462","0.001","90","","6563.02","0.07","100.01","0.12","100.01","0.12","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 -","- C44 H44 -","- C352 H352 -","8","2","","Colon-Madera, Shakira I.; Jennings, Abby R.; Iacono, Scott T.; Balaich, Gary J.","4,5-Di-tert-butyl-1,3,6,8-tetraphenyl-4,5,8a,8b-tetrahydro-as-indacene","Molbank","2023","2023","2","M1663","","10.3390/M1663","","x-ray","1.54184","CuKα","","0.0404","0.0371","","","0.0904","0.0926","","","","","","1.032","","","","has coordinates","285030","2023-07-06","06:49:20",""
"1569472","17.7427","0.0013","7.4326","0.0005","15.5351","0.0012","90","","100.659","0.007","90","","2013.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl2 I N4 -","- C20 H15 Cl2 I N4 -","- C80 H60 Cl8 I4 N16 -","4","1","","Aragoni, M. Carla; Lippolis, Vito; Mancini, Annalisa; Pintus, Anna; Podda, Enrico; Orton, James B.; Coles, Simon J.; Arca, Massimiliano","2-(5,6-Diphenyl-1,2,4-Triazin-3-yl)pyridinium Dichloroiodate (I)","Molbank","2023","2023","2","M1662","","10.3390/M1662","","","0.71073","MoKα","","0.0335","0.027","","","0.0604","0.0634","","","","","","1.072","","","","has coordinates","285031","2023-07-06","06:51:03",""
"1570055","15.1011","0.001","48.312","0.003","4.2805","0.0004","90","","90","","90","","3122.9","0.4","93","","93","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H8 Cl2 O2 S3 -","- C14 H8 Cl2 O2 S3 -","- C112 H64 Cl16 O16 S24 -","8","0.5","","Aitken, R. Alan; Campbell, Alexandra H.; Fletcher, Chloé E.; Slawin, Alexandra M. Z.","2,2′-Trisulfanediyldibenzoyl Chloride","Molbank","2023","2023","3","M1731","","10.3390/M1731","","","0.71073","MoKα","","0.0314","0.0281","","","0.0705","0.072","","","","","","0.924","","","","has coordinates","286824","2023-10-06","16:27:58",""
"1570898","9.834","0.009","12.609","0.01","16.946","0.016","90","","90.94","0.03","90","","2101","3","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H30 N3 O6.5 S -","- C19 H30 N3 O6.5 S -","- C76 H120 N12 O26 S4 -","4","2","","Buikin, Petr A.; Vologzhanina, Anna V.; Korlyukov, Alexander A.","Sumatriptan Succinate Hemi(Ethanol Solvate)","Molbank","2024","2024","1","M1766","","10.3390/M1766","","","0.71073","MoKα","","0.0561","0.0467","","","0.1134","0.1188","","","","","","1.025","","","","has coordinates","289656","2024-02-05","03:59:15",""
"1571120","30.7102","0.0006","18.9149","0.0004","15.7234","0.0002","90","","90.301","0.001","90","","9133.3","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C202 H222 Cl12 Fe8 Ir8 N8 O -","- C202 H222 Cl12 Fe8 Ir8 N8 O -","- C404 H444 Cl24 Fe16 Ir16 N16 O2 -","2","0.25","","Weigand, Stefan; Sünkel, Karlheinz","Chlorido-pentamethylcyclopentadienyl-[2-(2-pyridyl-кN)-ferrocenyl-кC]-iridium(III)","Molbank","2024","2024","1","M1770","","10.3390/M1770","","","0.71069","MoKα","","0.0434","0.0303","","","0.0734","0.0811","","","","","","1.029","","","","has coordinates","290302","2024-03-05","12:05:15",""