# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T09:10:40+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 'IUCrData') AND volume = 5 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
"1557175","8.127","0.007","8.411","0.009","12.536","0.01","105.36","0.04","96.52","0.02","94.77","0.03","815.2","1.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 4-(1<i>H</i>-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C16 H21 N3 O4 -","- C16 H21 N3 O4 -","- C32 H42 N6 O8 -","2","1","BT4088","Yoo, Miri; Koh, Dongsoo","Diethyl 4-(1<i>H</i>-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","IUCrData","2020","5","1","x200034","","10.1107/S2414314620000346","","","0.71073","MoKα","","0.0621","0.0488","","","0.1318","0.142","","","","","","1.059","","","","has coordinates,has Fobs","247338","2020-10-21","18:00:00",""
"1557176","13.209","0.007","6.343","0.003","27.08","0.014","90","","103.356","0.008","90","","2207.5","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[4-(4-Methoxyphenyl)-8-oxo-3-(phenylselanyl)spiro[4.5]deca-3,6,9-trien-2-yl]methylcyanamide","","- C25 H22 N2 O2 Se -","- C25 H22 N2 O2 Se -","- C100 H88 N8 O8 Se4 -","4","1","BV4028","Morris, LaQuze L.; Alvarado, Clarisa A.; Goncalves, Julia M.; Singh, Ravi P.; Lovely, Carl J.; Yousufuddin, Muhammed","[4-(4-Methoxyphenyl)-8-oxo-3-(phenylselanyl)spiro[4.5]deca-3,6,9-trien-2-yl]methylcyanamide","IUCrData","2020","5","1","x200078","","10.1107/S2414314620000784","","","0.71073","MoKα","","0.0797","0.0412","","","0.0937","0.1076","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","247339","2020-10-21","18:00:00",""
"1557177","7.484","0.001","8.587","0.001","18.523","0.002","83.782","0.004","81.868","0.004","71.189","0.004","1113","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-dodecyl-4-aza-1-azoniabicyclo[2.2.2]octane)tetraisothiocyanatocobalt(II)","","- C40 H74 Co N8 S4 -","- C40 H74 Co N8 S4 -","- C40 H74 Co N8 S4 -","1","0.5","WM4120","Giltzau, Niels Ole; Köckerling, Martin","Bis(1-dodecyl-4-aza-1-azoniabicyclo[2.2.2]octane)tetraisothiocyanatocobalt(II)","IUCrData","2020","5","1","x200023","","10.1107/S2414314620000231","","","0.71073","MoKα","","0.0932","0.0489","","","0.0927","0.1064","","","","","","1.043","","","","has coordinates,has Fobs","247340","2020-10-21","18:00:00",""
"1557178","15.5801","0.0012","8.3414","0.0006","12.1298","0.0008","90","","97.086","0.003","90","","1564.35","0.19","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(4-Fluoro-2-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","","- C18 H17 F O5 -","- C18 H17 F O5 -","- C72 H68 F4 O20 -","4","1","LH4051","Yoo, Miri; Koh, Dongsoo","(<i>E</i>)-1-(4-Fluoro-2-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","IUCrData","2020","5","1","x200071","","10.1107/S2414314620000711","","","0.71073","MoKα","","0.0856","0.0475","","","0.107","0.1246","","","","","","1.013","","","","has coordinates,has Fobs","247341","2020-10-21","18:00:00",""
"1557208","29.1537","0.0009","8.8739","0.0003","19.9919","0.0006","90","","123.621","0.001","90","","4306.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","o-Phenylenediammonium bis(p-toluenesulfonate)","Benzene-1,2-diaminium bis(4-methylbenzene-1-sulfonate)","","- C20 H24 N2 O6 S2 -","- C20 H24 N2 O6 S2 -","- C160 H192 N16 O48 S16 -","8","1","BV4029","Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R.","Benzene-1,2-diaminium bis(4-methylbenzene-1-sulfonate)","IUCrData","2020","5","1","x200100","","10.1107/S2414314620001005","","","0.71073","MoKα","","0.0674","0.0399","","","0.1028","0.1263","","","","","","1.074","","","","has coordinates,has Fobs","247444","2020-10-21","18:00:00",""
"1557209","5.5075","0.0003","6.789","0.0003","12.2572","0.0006","90","","90","","90","","458.3","0.04","100","","100","","","","","","","","","3","I m m m","-I 2 2","71","Caesium tetrafluoridobromate(III)","Caesium tetrafluoridobromate(III)","","- Br Cs F4 -","- Br Cs F4 -","- Br4 Cs4 F16 -","4","0.25","WM4121","Malin, Artem V.; Ivlev, Sergei I.; Ostvald, Roman V.; Kraus, Florian","Redetermination of the crystal structure of caesium tetrafluoridobromate(III) from single-crystal X-ray diffraction data","IUCrData","2020","5","1","x200114","","10.1107/S2414314620001145","","","0.71073","MoKα","","0.0151","0.0119","","","0.0212","0.0217","","","","","","1.119","","","","has coordinates,has Fobs","247896","2020-10-21","18:00:00",""
"1557210","7.0481","0.0003","18.2185","0.0008","12.6391","0.0006","90","","104.947","0.004","90","","1568.02","0.12","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4-Iodophenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","","- C19 H13 I O2 -","- C19 H13 I O2 -","- C76 H52 I4 O8 -","4","1","HB4334","Dean, Raven; Miller, Chelsea N.; Zingales, Sarah K.; Padgett, Clifford W.","3-(4-Iodophenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","IUCrData","2020","5","1","x200110","","10.1107/S2414314620001108","","","0.71073","MoKα","","0.0863","0.0451","","","0.0819","0.0962","","","","","","1.123","","","","has coordinates,has Fobs","247446","2020-10-21","18:00:00",""
"1557252","9.0627","0.0006","10.7595","0.0008","24.4636","0.0019","90","","100.599","0.003","90","","2344.7","0.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Chloro-2-[1-(4-ethylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]phenol","","- C29 H23 Cl N2 O -","- C29 H23 Cl N2 O -","- C116 H92 Cl4 N8 O4 -","4","1","ZL4037","Shraddha, K. N.; Devika, S.; Begum, Noor Shahina","4-Chloro-2-[1-(4-ethylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]phenol","IUCrData","2020","5","1","x191690","","10.1107/S2414314619016900","","","0.71073","MoKα","","0.0699","0.047","","","0.1087","0.1287","","","","","","1.029","","","","has coordinates,has Fobs","247886","2020-10-21","18:00:00",""
"1557264","8.8341","0.0004","24.3932","0.0009","11.6111","0.0005","90","","108.086","0.002","90","","2378.47","0.17","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Hydronium bis(trifluoromethanesulfonyl)amide‒18-crown-6 (1/1)","","- C14 H27 F6 N O11 S2 -","- C14 H27 F6 N O11 S2 -","- C56 H108 F24 N4 O44 S8 -","4","2","IS4042","Kitada, Atsushi; Funasako, Yusuke; Matsumoto, Kazuhiko; Hagiwara, Rika; Inokuchi, Makoto; Fukami, Kazuhiro; Murase, Kuniaki","Hydronium bis(trifluoromethanesulfonyl)amide‒18-crown-6 (1/1)","IUCrData","2020","5","2","x200162","","10.1107/S2414314620001625","","","0.71073","MoKα","","0.064","0.0624","","","0.161","0.162","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","247947","2020-10-21","18:00:00",""
"1557302","8.7438","0.0001","18.7561","0.0002","20.8005","0.0002","90","","90","","90","","3411.27","0.06","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C160 H144 N32 O16 -","8","1","WM4125","Powell, Gregory L.; Rix, Brad A.","5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","IUCrData","2020","5","2","x200121","","10.1107/S2414314620001212","","x-ray","1.54184","CuKα","","0.0455","0.0418","","","0.1086","0.1131","","","","","","1.042","","","","has coordinates,has Fobs","248070","2020-10-21","18:00:00",""
"1557303","9.1617","0.0009","19.233","0.003","13.0065","0.0013","90","","91.136","0.008","90","","2291.4","0.5","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dicaesium tetramagnesium pentakis(carbonate) decahydrate","","- C5 H20 Cs2 Mg4 O25 -","- C5 H20 Cs2 Mg4 O25 -","- C20 H80 Cs8 Mg16 O100 -","4","1","WM4122","Rincke, Christine; Schmidt, Horst; Voigt, Wolfgang","Dicaesium tetramagnesium pentakis(carbonate) decahydrate, Cs2Mg4(CO3)5·10H2O","IUCrData","2020","5","2","","","10.1107/S2414314620001650","","","0.71073","MoKα","","0.0895","0.0731","","","0.2175","0.2742","","","","","","1.221","","","","has coordinates,has Fobs","248071","2020-10-21","18:00:00",""
"1557304","4.1658","0.0002","10.4706","0.0006","12.7624","0.0007","90","","95.958","0.002","90","","553.67","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,2'-[Methylenebis(sulfanediyl)]bis(pyridine 1-oxide)","","- C11 H10 N2 O2 S2 -","- C11 H10 N2 O2 S2 -","- C22 H20 N4 O4 S4 -","2","1","BV4026","Siegel, David J.; Howarth, Alexis N.; Traver, Joseph R.; Hillesheim, Patrick C.; Zeller, Matthias; Mirjafari, Arsalan","2,2'-[Methylenebis(sulfanediyl)]bis(pyridine 1-oxide)","IUCrData","2020","5","2","x200171","","10.1107/S2414314620001716","","","0.71073","MoKα","","0.0492","0.0409","","","0.0949","0.1002","","","","","","1.06","","","","has coordinates,has Fobs","248072","2020-10-21","18:00:00",""
"1557305","11.076","0.002","11.076","0.002","16.478","0.003","90","","90","","90","","2021.5","0.6","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","(3<i>S</i>,5<i>R</i>,6<i>S</i>)-Diphenylmethyl 1-oxo-6-bromopenicillanate","","- C21 H20 Br N O4 S -","- C21 H20 Br N O4 S -","- C84 H80 Br4 N4 O16 S4 -","4","1","IS4040","Soundararajan, Krishnan; Sethuraman, Velusamy; Thanigaimani, Kaliyaperumal","(3<i>S</i>,5<i>R</i>,6<i>S</i>)-Diphenylmethyl 1-oxo-6-bromopenicillanate","IUCrData","2020","5","2","x200143","","10.1107/S2414314620001431","","","0.71073","MoKα","","0.0828","0.0328","","","0.0685","0.0834","","","","","","0.886","","","","has coordinates,has Fobs","248073","2020-10-21","18:00:00",""
"1557306","5.5457","0.0006","9.1108","0.001","43.511","0.006","90","","90.376","0.005","90","","2198.4","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(Octadecylsulfanyl)-1,3-thiazole","","- C21 H39 N S2 -","- C21 H39 N S2 -","- C84 H156 N4 S8 -","4","2","BV4027","Muller II, Joseph E.; Osborn, Laura R.; Traver, Joseph R.; Hillesheim, Patrick C.; Zeller, Matthias; Mirjafari, Arsalan","2-(Octadecylsulfanyl)-1,3-thiazole","IUCrData","2020","5","2","x200170","","10.1107/S2414314620001704","","","1.54178","CuKα","","0.1015","0.0967","","","0.2546","0.263","","","","","","1.048","","","","has coordinates,has Fobs","248074","2020-10-21","18:00:00",""
"1557320","9.6598","0.0004","7.4249","0.0003","11.2457","0.0006","90","","109.745","0.005","90","","759.15","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-Nitro-2,3-bis(thien-2-yl)quinoxaline","5-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","","- C16 H9 N3 O2 S2 -","- C16 H9 N3 O2 S2 -","- C32 H18 N6 O4 S4 -","2","1","FF4033","de Freitas, Jorge F.; Brown, Shayne; Oberndorfer, James S.; Crundwell, Guy","5-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","IUCrData","2020","5","2","x200196","","10.1107/S2414314620001960","","","0.71073","MoKα","","0.0777","0.0377","","","0.0696","0.0764","","","","","","0.807","","","","has coordinates","248211","2020-10-21","18:00:00",""
"1557321","11.7649","0.0004","5.3386","0.0002","24.3536","0.0008","90","","105.61","0.003","90","","1473.18","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-Nitro-2,3-bis(thien-2-yl)quinoxaline","6-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","","- C16 H9 N3 O2 S2 -","- C16 H9 N3 O2 S2 -","- C64 H36 N12 O8 S8 -","4","1","FF4034","de Freitas, Jorge F.; Brown, Shayne; Oberndorfer, James S.; Crundwell, Guy","6-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","IUCrData","2020","5","2","x200203","","10.1107/S2414314620002035","","","0.71073","MoKα","","0.0994","0.0624","","","0.1848","0.1988","","","","","","1.06","","","","has coordinates,has Fobs","248212","2020-10-21","18:00:00",""
"1557368","21.55","0.0008","6.0366","0.0002","27.4915","0.0009","90","","92.111","0.001","90","","3573.9","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(4-methoxyphenyl)naphthalene","","- C24 H20 O2 -","- C24 H20 O2 -","- C192 H160 O16 -","8","2","TK4061","Manickam, R.; Jagadeesan, G.; Karunakaran, J.; Srinivasan, G.","1,4-Bis(4-methoxyphenyl)naphthalene","IUCrData","2020","5","2","x200212","","10.1107/S2414314620002126","","","0.71073","MoKα","","0.1554","0.0773","","","0.1995","0.2814","","","","","","1.019","","","","has coordinates,has Fobs","248400","2020-10-21","18:00:00",""
"1557369","14.6392","0.0005","5.7111","0.0002","17.5295","0.0006","90","","102.349","0.001","90","","1431.66","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Aminoanilinium 4-methylbenzenesulfonate","","- C13 H16 N2 O3 S -","- C13 H16 N2 O3 S -","- C52 H64 N8 O12 S4 -","4","1","HB4337","Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R.","2-Aminoanilinium 4-methylbenzenesulfonate","IUCrData","2020","5","2","x200230","","10.1107/S2414314620002308","","","0.71073","MoKα","","0.0628","0.0424","","","0.1099","0.1271","","","","","","1.062","","","","has coordinates,has Fobs","248401","2020-10-21","18:00:00",""
"1557370","10.2628","0.0006","20.5653","0.0013","13.3923","0.0008","90","","111.638","0.0015","90","","2627.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-[(<i>tert</i>-Butyldimethylsilyl)oxy]-3-ethenyl-7-methoxy-4-[(trimethylsilyl)ethynyl]naphtho[2,3-<i>c</i>]furan-1(3<i>H</i>)-one","","- C26 H34 O4 Si2 -","- C26 H34 O4 Si2 -","- C104 H136 O16 Si8 -","4","1","BT4089","Weil, Matthias; Kremsmayr, Thomas; Mihovilovic, Marko D.","6-[(<i>tert</i>-Butyldimethylsilyl)oxy]-3-ethenyl-7-methoxy-4-[(trimethylsilyl)ethynyl]naphtho[2,3-<i>c</i>]furan-1(3<i>H</i>)-one","IUCrData","2020","5","2","x200224","","10.1107/S2414314620002242","","","0.71073","MoKα","","0.0591","0.0408","","","0.0955","0.1042","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","248402","2020-10-21","18:00:00",""
"1557413","13.949","0.0009","4.9891","0.0003","17.3647","0.0011","90","","105.693","0.004","90","","1163.42","0.13","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3-Bis(2-oxopropyl)thymine","5-Methyl-1,3-bis(2-oxopropyl)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C44 H56 N8 O16 -","4","1","ZQ4039","Doboszewski, Bogdan; Nazarenko, Alexander Y.; Soares, Fábio da Paixão","1,3-Bis(2-oxopropyl)thymine","IUCrData","2020","5","2","x200257","","10.1107/S2414314620002576","","","0.71073","MoKα","","0.0621","0.042","","","0.0931","0.103","","","","","","1.027","","","","has coordinates,has Fobs","248570","2020-10-21","18:00:00",""
"1557414","14.7455","0.001","11.9504","0.0008","11.9649","0.0008","90","","101.898","0.002","90","","2063.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[(1<i>R</i>*,3<i>S</i>*,4<i>S</i>*)-3-(2-Hydroxybenzoyl)-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-1-yl]methyl 4-nitrobenzoate","","- C25 H19 N O7 -","- C25 H19 N O7 -","- C100 H76 N4 O28 -","4","1","HB4338","Lough, Alan J.; Ho, Angel; Tam, William","[(1<i>R</i>*,3<i>S</i>*,4<i>S</i>*)-3-(2-Hydroxybenzoyl)-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-1-yl]methyl 4-nitrobenzoate","IUCrData","2020","5","2","x200265","","10.1107/S2414314620002655","","","0.71073","MoKα","","0.0617","0.0359","","","0.0821","0.093","","","","","","1.011","","","","has coordinates,has Fobs","248571","2020-10-21","18:00:00",""
"1557436","18.02","0.001","18.742","0.001","19.74","0.001","90","","90","","90","","6666.8","0.6","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(<i>N</i>-adamantyl-<i>N</i>'-ethylimidazolium) tetrabromidomanganate(II)","","- C30 H46 Br4 Mn N4 -","- C30 H46 Br4 Mn N4 -","- C240 H368 Br32 Mn8 N32 -","8","1","WM4124","Giltzau, Niels Ole; Köckerling, Martin","Bis(N-adamantyl-N′-ethylimidazolium) tetrabromidomanganate(II)","IUCrData","2020","5","3","","","10.1107/S2414314620002618","","","0.71073","MoKα","","0.041","0.0269","","","0.0581","0.0661","","","","","","1.207","","","","has coordinates,has Fobs","248737","2020-10-21","18:00:00",""
"1557516","9.4559","0.0003","12.8405","0.0004","8.9638","0.0003","90","","111.445","0.001","90","","1013.02","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,5-Tetrahydronaphtho[2,1-<i>c</i>]oxepine","","- C14 H14 O -","- C14 H14 O -","- C56 H56 O4 -","4","1","HB4340","Lough, Alan J.; Pounder, Austin; Wicks, Christopher; Tam, William","1,2,3,5-Tetrahydronaphtho[2,1-<i>c</i>]oxepine","IUCrData","2020","5","3","x200288","","10.1107/S2414314620002886","","","0.71073","MoKα","","0.0413","0.035","","","0.093","0.0996","","","","","","1.065","","","","has coordinates,has Fobs","249118","2020-10-21","18:00:00",""
"1557517","9.3106","0.0011","8.7232","0.0008","13.4776","0.0012","90","","91.959","0.008","90","","1093.99","0.19","193","2","193","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Nonacyclo[9.7.7.7^2,10^.0^1,11^.0^2,10^.0^3,8^.0^12,17^.0^19,24^.0^26,31^]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene","","- C32 H24 -","- C32 H24 -","- C64 H48 -","2","0.5","RZ4037","Detert, Heiner; Jacobs, Nina; Schollmeyer, Dieter","The head-to-head photodimer of indenoindene","IUCrData","2020","5","3","x200307","","10.1107/S2414314620003077","","","0.71073","MoKα","","0.1164","0.0607","","","0.1665","0.196","","","","","","0.973","","","","has coordinates,has Fobs","249119","2020-10-21","18:00:00",""
"1557518","9.4802","0.0003","14.9824","0.0007","18.6565","0.0007","90","","90","","90","","2649.9","0.18","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","12-Ethyl-6a,10a-dihydro-5<i>H</i>-6-oxachrysene","","- C19 H16 O -","- C19 H16 O -","- C152 H128 O8 -","8","1","HB4339","Lough, Alan J.; Pounder, Austin; Tam, William","12-Ethyl-6a,10a-dihydro-5<i>H</i>-6-oxachrysene","IUCrData","2020","5","3","x200286","","10.1107/S2414314620002862","","","0.71073","MoKα","","0.0511","0.0382","","","0.0918","0.1006","","","","","","1.042","","","","has coordinates,has Fobs","249120","2020-10-21","18:00:00",""
"1557519","16.7781","0.0017","16.3902","0.0018","4.7894","0.0005","90","","90","","90","","1317.1","0.2","293","1","293","1","","","","","","","","4","P m n 21","P 2ac -2","31","","Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine methanol trisolvate","","- C27 H33 N7 O3 -","- C27 H33 N7 O3 -","- C54 H66 N14 O6 -","2","0.5","GG4004","Anzaldo-Olivares, Bertin; Arroyo, Maribel; Ramírez-Monroy, Armando; Bernès, Sylvain","Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine methanol trisolvate","IUCrData","2020","5","3","x200281","","10.1107/S2414314620002813","","x-ray","0.71073","MoKα","","0.0928","0.048","","","0.0843","0.1007","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","249121","2020-10-21","18:00:00",""
"1557573","12.2712","0.0007","11.2934","0.0006","10.8984","0.0007","90","","112.565","0.002","90","","1394.71","0.14","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","12,15-Dimethyl-8-oxatetracyclo[8.8.0.0^2,7^.0^11,16^]octadeca-1(18),2,4,6,11(16),12,14-heptaen-10-ol","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","HB4341","Lough, Alan J.; Koh, Samuel; Tam, William","12,15-Dimethyl-8-oxatetracyclo[8.8.0.0^2,7^.0^11,16^]octadeca-1(18),2,4,6,11(16),12,14-heptaen-10-ol","IUCrData","2020","5","3","x200315","","10.1107/S2414314620003156","","","0.71073","MoKα","","0.0643","0.0396","","","0.0944","0.1099","","","","","","1.035","","","","has coordinates,has Fobs","249276","2020-10-21","18:00:00",""
"1557611","9.942","0.002","22.986","0.005","26.512","0.005","90","","90","","90","","6059","2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[1‒9-NαC]-Linusorb B3 (Cyclolinopeptide A) dimethyl sulfoxide monosolvate","24,27-Dibenzyl-15,18-bis(butan-2-yl)-12,21-bis(2-methylpropyl)-9-(propan-2-yl)-1,7,10,13,16,19,22,25,28-nonaazatricyclo[28.3.0.0^3,7^]tritriacontane-2,8,11,14,17,20,23,26,29-nonone dimethyl sulfoxide monosolvate","","- C59 H90 N9 O10 S -","- C59 H90 N9 O10 S -","- C236 H360 N36 O40 S4 -","4","1","LH4052","Purdy, Sarah Kendra; Spasyuk, Denis; Chitanda, Jackson Mulenga; Reaney, Martin J. T.","[1‒9-NαC]-Linusorb B3 (Cyclolinopeptide A) dimethyl sulfoxide monosolvate","IUCrData","2020","5","3","x200318","","10.1107/S2414314620003181","","","0.68882","synchrotron","","0.0446","0.0394","","","0.0977","0.1006","","","","","","1.038","","","","has coordinates,has Fobs","249390","2020-10-21","18:00:00",""
"1557612","9.434","0.0019","17.134","0.004","8.826","0.0018","90","","105.01","0.04","90","","1378","0.6","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-6-(Furan-2-ylmethylidene)-6,7,8,9-tetrahydropyrido[2,1-<i>b</i>]quinazoline-11-thione","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C68 H56 N8 O4 S4 -","4","1","BH4051","Tojiboev, Akmal; Nasrullaev, Azizbek; Turgunov, Kambarali; Elmuradov, Burkhan; Tashkhodjaev, Bakhodir","(<i>E</i>)-6-(Furan-2-ylmethylidene)-6,7,8,9-tetrahydropyrido[2,1-<i>b</i>]quinazoline-11-thione","IUCrData","2020","5","3","","","10.1107/S2414314620003569","","","1.54184","CuKα","","0.052","0.0445","","","0.1177","0.123","","","","","","1.035","","","","has coordinates,has Fobs","249391","2020-10-21","18:00:00",""
"1557619","7.2285","0.0005","7.2385","0.0005","13.7586","0.0011","102.192","0.007","99.616","0.006","104.149","0.006","663.91","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","7-Chloro-3-(4-methylphenylsulfonyl)pyrrolo[1,2-<i>c</i>]pyrimidine","","- C14 H11 Cl N2 O2 S -","- C14 H11 Cl N2 O2 S -","- C28 H22 Cl2 N4 O4 S2 -","2","1","HB4342","Narayan, Easha; Fu, Liangfeng; Gribble, Gordon W.; Kaur, Manpreet; Jasinski, Jerry P.","7-Chloro-3-(4-methylphenylsulfonyl)pyrrolo[1,2-<i>c</i>]pyrimidine","IUCrData","2020","5","3","","","10.1107/S241431462000382X","","","1.54184","CuKα","","0.0485","0.043","","","0.1069","0.1144","","","","","","1.041","","","","has coordinates,has Fobs","249477","2020-10-21","18:00:00",""
"1557620","7.0953","0.0008","8.931","0.0008","18.219","0.002","90","","95.49","0.009","90","","1149.2","0.2","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-Bis[(<i>E</i>)-2-phenylethenyl]-3,6-bis(pyridin-2-yl)pyrazine","","- C30 H22 N4 -","- C30 H22 N4 -","- C60 H44 N8 -","2","0.5","BT4090","Detert, Heiner; Jochem, Matthias; Schollmeyer, Dieter","2,5-Bis[(<i>E</i>)-2-phenylethenyl]-3,6-bis(pyridin-2-yl)pyrazine","IUCrData","2020","5","3","","","10.1107/S2414314620003727","","","0.71073","MoKα","","0.0838","0.0434","","","0.0989","0.1104","","","","","","0.989","","","","has coordinates,has Fobs","249478","2020-10-21","18:00:00",""
"1557683","10.7335","0.0009","12.4005","0.001","7.9206","0.0006","90","","93.654","0.004","90","","1052.09","0.15","446","2","446","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbonitrile","","- C10 H13 N5 -","- C10 H13 N5 -","- C40 H52 N20 -","4","1","HB4343","Bhat, Radhika; Shraddha, K. N.; Begum, Noor Shahina","4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbonitrile","IUCrData","2020","5","3","","","10.1107/S2414314620003855","","","0.71073","MoKα","","0.0688","0.0495","","","0.1522","0.1795","","","","","","1.156","","","","has coordinates,has Fobs","249823","2020-10-21","18:00:00",""
"1557697","6.1631","0.0006","19.253","0.002","18.0743","0.0019","90","","96.83","0.001","90","","2129.4","0.4","100","2","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,1',2-tris(methylcarboxyphenyl)ethene","Trimethyl 4,4',4''-(ethene-1,1,2-triyl)tribenzoate","","- C26 H22 O6 -","- C26 H22 O6 -","- C104 H88 O24 -","4","1","ZL4040","Lesley, Melvin J. G.; Ozhan, Koray; Sung, Herman H.-Y.; Williams, Ian D.","Trimethyl 4,4',4''-(ethene-1,1,2-triyl)tribenzoate","IUCrData","2020","5","3","x200417","","10.1107/S2414314620004174","","","0.71073","MoKα","","0.0569","0.048","","","0.1185","0.1246","","","","","","1.021","","","","has coordinates,has Fobs","249911","2020-10-21","18:00:00",""
"1557751","14.6285","0.0004","29.9816","0.0007","20.5191","0.0005","90","","94.548","0.007","90","","8971","0.4","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H94 N7 O18 V7 -","- C66 H94 N7 O18 V7 -","- C264 H376 N28 O72 V28 -","4","1","IS4043","Kodama, Shintaro; Kondo, Shota; Nomoto, Akihiro; Ogawa, Akiya","Tris(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine)(<i>trans</i>-4-<i>tert</i>-butylcyclohexanolato)deca-μ-oxido-heptaoxidoheptavanadium acetonitrile monosolvate including another unknown solvent molecule","IUCrData","2020","5","4","x200449","","10.1107/S2414314620004496","","","0.71075","MoKα","","0.0956","0.0738","","","0.1891","0.2017","","","","","","1.015","","","","has coordinates,has Fobs","250494","2020-10-21","18:00:00",""
"1557752","8.7612","0.0008","13.1852","0.0013","16.4458","0.0019","90","","94.4","0.009","90","","1894.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~4~-3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine]di-μ-iodido-dicopper(I)]","","- C12 H16 Cu2 I2 N2 S4 -","- C12 H16 Cu2 I2 N2 S4 -","- C48 H64 Cu8 I8 N8 S16 -","4","1","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Poly[[μ~4~-3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine]di-μ-iodido-dicopper(I)]: a two-dimensional copper(I) coordination polymer","IUCrData","2020","5","4","x200467","","10.1107/S2414314620004678","","","0.71073","MoKα","","0.045","0.0359","","","0.0783","0.0837","","","","","","1.161","","","","has coordinates,has Fobs","250495","2020-10-21","18:00:00",""
"1557753","5.3009","0.0008","8.625","0.0012","10.6976","0.0014","90","","91.146","0.005","90","","489","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol","","- C6 H6 F8 O4 -","- C6 H6 F8 O4 -","- C12 H12 F16 O8 -","2","1","LH4054","Feightner, Kylie; Powell, Douglas R.; Burba, Christopher M.","2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol","IUCrData","2020","5","4","x200445","","10.1107/S2414314620004459","","","0.71073","MoKα","","0.0389","0.0379","","","0.0982","0.0998","","","","","","1.001","","","","has coordinates,has Fobs","250496","2020-10-21","18:00:00",""
"1557817","6.1444","0.0006","12.8514","0.0013","19.3315","0.0019","90","","91.626","0.003","90","","1525.9","0.3","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>,<i>N</i>-Diallyl-5-methoxytryptamine","<i>N</i>-[2-(5-Methoxy-1<i>H</i>-indol-3-yl)ethyl]-<i>N</i>-(prop-2-en-1-yl)prop-2-en-1-amine","","- C17 H22 N2 O -","- C17 H22 N2 O -","- C68 H88 N8 O4 -","4","1","BX4017","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","5-MeO-DALT: the freebase of N,N-diallyl-5-methoxytryptamine","IUCrData","2020","5","4","","","10.1107/S2414314620004988","","","0.71073","MoKα","","0.0598","0.0408","","","0.0941","0.1057","","","","","","1.05","","","","has coordinates,has Fobs","250923","2020-10-21","18:00:00",""
"1557847","16.7588","0.0004","23.4597","0.0005","8.7769","0.0002","90","","98.771","0.001","90","","3410.34","0.13","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,6-Diphenyl-3-(prop-2-en-1-yl)piperidin-4-one","","- C20 H21 N O -","- C20 H21 N O -","- C160 H168 N8 O8 -","8","1","HB4345","Manjula, V.; Venkateswaramoorthi, R.; Dharmaraja, J.; Selvanayagam, S.","2,6-Diphenyl-3-(prop-2-en-1-yl)piperidin-4-one","IUCrData","2020","5","4","x200526","","10.1107/S241431462000526X","","","0.71073","MoKα","","0.1723","0.0797","","","0.1648","0.2005","","","","","","1.03","","","","has coordinates,has Fobs","251012","2020-10-21","18:00:00",""
"1557980","13.93535","0.00018","13.93535","0.00018","13.1629","0.0003","90","","90","","90","","2556.16","0.07","293","2","293","2","","","","","","","","3","I -4","I -4","82","2,3-Diethylbenzo[g]quinoxaline","2,3-Diethylbenzo[<i>g</i>]quinoxaline","","- C16 H16 N2 -","- C16 H16 N2 -","- C128 H128 N16 -","8","1","HB4346","Crundwell, Guy; Leeds, Ashley","2,3-Diethylbenzo[<i>g</i>]quinoxaline","IUCrData","2020","5","4","x200454","","10.1107/S241431462000454X","","x-ray","0.71073","MoKα","","0.0627","0.0477","","","0.1256","0.136","","","","","","1.037","","","","has coordinates,has Fobs","251360","2020-10-21","18:00:00",""
"1557981","6.383","0.008","12.498","0.015","12.814","0.016","68.718","0.011","86.988","0.012","81.397","0.012","942","2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H40 N2 -","- C52 H40 N2 -","- C52 H40 N2 -","1","0.5","","Zhang, Yang; Yu, Fan; Li, Pei; Xu, Mengli; Xu, Guoyong; Li, Weimin; Wang, Fuzhou","2,4,6-Triphenyl-<i>N</i>-{(3<i>E</i>)-3-[(2,4,6-triphenylphenyl)imino]butan-2-ylidene}aniline","IUCrData","2020","5","4","x200531","","10.1107/S2414314620005313","","","0.71073","MoKα","","0.1092","0.0595","","","0.1303","0.1582","","","","","","1.021","","","","has coordinates","251361","2020-10-21","18:00:00",""
"1558035","4.8774","0.0013","9.47","0.003","12.719","0.003","106.784","0.007","97.222","0.007","92.444","0.008","556.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(2-Ethoxy-2-oxoacetamido)benzoic acid","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C22 H22 N2 O10 -","2","1","XU4040","Yu, MingChao; Wang, LinLin; Wang, LingYang; Wu, ZhiYong","2-(2-Ethoxy-2-oxoacetamido)benzoic acid","IUCrData","2020","5","5","x200603","","10.1107/S2414314620006033","","","0.71073","MoKα","","0.0608","0.0487","","","0.1264","0.1375","","","","","","1.063","","","","has coordinates,has Fobs","251892","2020-10-21","18:00:00",""
"1558091","6.3076","0.0004","9.549","0.0006","11.3951","0.0008","90","","90","","90","","686.34","0.08","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium chloride","","- C5 H9 Cl N2 -","- C5 H9 Cl N2 -","- C20 H36 Cl4 N8 -","4","1","BV4030","Anderson, Grace; Mirjafari, Arsalan; Zeller, Matthias; Hillesheim, Patrick C.","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium chloride","IUCrData","2020","5","5","x200660","","10.1107/S2414314620006604","","","0.71073","MoKα","","0.0213","0.0194","","","0.0489","0.0499","","","","","","1.107","","","","has coordinates,has Fobs","252209","2020-10-21","18:00:00",""
"1558159","16.9376","0.0006","13.144","0.0004","10.6399","0.0004","90","","92.891","0.004","90","","2365.72","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-5-[(4-fluorophenyl)diazenyl]-4-methylthiazole","","- C25 H18 Cl F2 N5 S -","- C25 H18 Cl F2 N5 S -","- C100 H72 Cl4 F8 N20 S4 -","4","1","ZL4041","Alanazi, Saud A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-5-[(4-fluorophenyl)diazenyl]-4-methylthiazole","IUCrData","2020","5","5","x200700","","10.1107/S2414314620007002","","","0.71073","MoKα","","0.0955","0.0484","","","0.1036","0.1252","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","252489","2020-10-21","18:00:00",""
"1558160","10.882","0.0006","8.4029","0.0004","18.9678","0.0011","90","","95.44","0.002","90","","1726.61","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium benzenesulfonate; 1,2-dimethyl-1<i>H</i>-imidazole","","- C16 H22 N4 O3 S -","- C16 H22 N4 O3 S -","- C64 H88 N16 O12 S4 -","4","1","BV4031","Cyr, Noah; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium benzenesulfonate‒1,2-dimethyl-1<i>H</i>-imidazole co-crystal","IUCrData","2020","5","5","x200689","","10.1107/S2414314620006896","","","0.71073","MoKα","","0.0406","0.0345","","","0.0897","0.0945","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","252490","2020-10-21","18:00:00",""
"1558161","10.2564","0.0007","6.5369","0.0005","10.9683","0.0009","90","","95.067","0.007","90","","732.5","0.1","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","Dipropylammonium 4-aminobenzenesulfonate","Dipropylazanium 4-aminobenzenesulfonate","","- C12 H22 N2 O3 S -","- C12 H22 N2 O3 S -","- C24 H44 N4 O6 S2 -","2","1","HB4347","Sarr, Bougar; Mbaye, Abdou; Touré, Assane; Diop, Cheikh Abdoul Khadir; Sidibé, Mamadou; Michaud, François","Dipropylammonium 4-aminobenzenesulfonate","IUCrData","2020","5","5","x200659","","10.1107/S2414314620006598","","","0.71073","MoKα","","0.047","0.0388","","","0.0895","0.0966","","","","","","1.172","","","","has coordinates","252491","2020-10-21","18:00:00",""
"1558281","10.907","0.0008","18.8993","0.0014","21.6608","0.0015","90","","90","","90","","4465","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-3-methylimidazolium bromide","","- C11 H13 Br N2 -","- C11 H13 Br N2 -","- C176 H208 Br16 N32 -","16","2","IM4007","Peppel, Tim; Wulf, Christoph; Spannenberg, Anke","1-Benzyl-3-methylimidazolium bromide","IUCrData","2020","5","6","","","10.1107/S2414314620007683","","","0.71073","MoKα","","0.0277","0.0203","","","0.0481","0.0509","","","","","","1.027","","","","has coordinates,has Fobs","253063","2020-10-21","18:00:00",""
"1558316","7.7611","0.0004","7.2894","0.0004","24.0331","0.0013","90","","93.5573","0.0012","90","","1357.02","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1 JSloop","(<i>E</i>)-2-(3,5-Dimethoxybenzylidene)indan-1-one","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","BT4094","Encarnacion-Thomas, Elvia; Sommer, Roger D.; Mallia, Ajay; Sloop, Joseph","(<i>E</i>)-2-(3,5-Dimethoxybenzylidene)indan-1-one","IUCrData","2020","5","6","x200759","","10.1107/S2414314620007592","","","0.71073","MoKα","","0.0612","0.0437","","","0.1136","0.1232","","","","","","1.023","","","","has coordinates,has Fobs","253149","2020-10-21","18:00:00",""
"1558329","5.5734","0.0004","9.2537","0.0009","14.2547","0.0012","91.995","0.007","99.103","0.006","95.567","0.007","721.56","0.11","296","1","296","1","","","","","","","","5","P 1","P 1","1","","Ethyl (3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-3-{(3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-5-oxoisoxazolidin-2-yl}propanoate chloroform monosolvate","","- C23 H34 Cl3 N O12 -","- C23 H34 Cl3 N O12 -","- C23 H34 Cl3 N O12 -","1","1","BX4018","Amaro Hernández, Aldo Guillermo; Rodríguez Tzompantzi, Tomasa; Dávila García, Álvaro; Meza-León, Rosa Luisa; Bernès, Sylvain","Ethyl (3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-3-{(3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-5-oxoisoxazolidin-2-yl}propanoate chloroform monosolvate","IUCrData","2020","5","6","x200788","","10.1107/S2414314620007889","","x-ray","0.56083","AgKα","","0.0606","0.0476","","","0.1275","0.1344","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","253204","2020-10-21","18:00:00",""
"1558330","9.9641","0.0009","10.2338","0.0009","23.541","0.002","90","","100.086","0.002","90","","2363.4","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-{4,6-dimethoxy-2-[(<i>E</i>)-4-methoxystyryl]-3-methylphenyl}-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one","","- C28 H28 O6 -","- C28 H28 O6 -","- C112 H112 O24 -","4","1","HB4350","Yoo, Miri; Koh, Dongsoo","(<i>E</i>)-3-{4,6-Dimethoxy-2-[(<i>E</i>)-4-methoxystyryl]-3-methylphenyl}-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one","IUCrData","2020","5","6","x200792","","10.1107/S2414314620007920","","","0.71073","MoKα","","0.1078","0.0458","","","0.0887","0.1121","","","","","","0.883","","","","has coordinates,has Fobs","253205","2020-10-21","18:00:00",""
"1558379","7.2747","0.0005","10.4927","0.0008","16.356","0.0012","97.735","0.002","102.84","0.002","102.607","0.002","1165.71","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-aqua-bis[aqua(2,2'-bipyridine)(4-nitrobenzoato)cobalt(II)] bis(4-nitrobenzoate)","","- C48 H40 Co2 N8 O20 -","- C48 H40 Co2 N8 O20 -","- C48 H40 Co2 N8 O20 -","1","0.5","HB4348","Srinivasan, Bikshandarkoil R.; Harmalkar, Sarvesh S.; D'Souza, Luann R.; Dhuri, Sunder N.","Di-μ-aqua-bis[aqua(2,2′-bipyridine)(4-nitrobenzoato)cobalt(II)] bis(4-nitrobenzoate)","IUCrData","2020","5","6","","","10.1107/S2414314620007968","","","0.71073","MoKα","","0.0289","0.0251","","","0.0614","0.0637","","","","","","1.052","","","","has coordinates,has Fobs","253294","2020-10-21","18:00:00",""
"1558437","5.8686","0.0002","7.4955","0.0003","15.2792","0.0005","102.195","0.002","90.649","0.002","90.454","0.002","656.86","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-[(<i>E</i>)-3-(4-Methylphenyl)-3-oxoprop-1-en-1-yl]benzonitrile","","- C17 H13 N O -","- C17 H13 N O -","- C34 H26 N2 O2 -","2","1","VM4044","Arunkumar, Dandavathi; Samshuddin, Seranthimata; Ansar, Mhammed; Mague, Joel T.; Ramli, Youssef","4-[(<i>E</i>)-3-(4-Methylphenyl)-3-oxoprop-1-en-1-yl]benzonitrile","IUCrData","2020","5","6","x200800","","10.1107/S2414314620008007","","","1.54178","CuKα","","0.0669","0.0593","","","0.1785","0.188","","","","","","1.085","","","","has coordinates,has Fobs","253516","2020-10-21","18:00:00",""
"1558456","16.01","0.0014","12.5361","0.0011","16.3086","0.0018","90","","90.041","0.008","90","","3273.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2<i>H</i>-imidazol-2-ylidene]triiodoborane benzene hemisolvate","","- C30 H39 B I3 N2 -","- C30 H39 B I3 N2 -","- C120 H156 B4 I12 N8 -","4","1","HB4351","Schödel, Frauke; Lerner, Hans-Wolfram; Bolte, Michael","[1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2<i>H</i>-imidazol-2-ylidene]triiodoborane benzene hemisolvate","IUCrData","2020","5","6","x200863","","10.1107/S2414314620008639","","","0.71073","MoKα","","0.1191","0.0944","","","0.2575","0.2669","","","","","","1.134","","","","has coordinates,has Fobs","253607","2020-10-21","18:00:00",""
"1558561","34.176","0.007","6.3699","0.0013","26.382","0.005","90","","123.428","0.006","90","","4793.2","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[5,10,15,20-Tetrakis(pentafluorophenyl)porphyrinato]zinc(II) benzene disolvate","","- C56 H20 F20 N4 Zn -","- C56 H20 F20 N4 Zn -","- C224 H80 F80 N16 Zn4 -","4","0.5","","Lin, Zeyuan; Li, Jianfeng","[5,10,15,20-Tetrakis(pentafluorophenyl)porphyrinato]zinc(II) benzene disolvate","IUCrData","2020","5","7","x200877","","10.1107/S2414314620008779","","","0.71073","MoKα","","0.0454","0.0342","","","0.1095","0.1192","","","","","","0.906","","","","has coordinates,has disorder,has Fobs","254207","2020-10-21","18:00:00",""
"1558562","9.74134","0.00005","9.83313","0.00004","14.91737","0.00006","90","","98.2662","0.0004","90","","1414.06","0.011","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid","","- C16 H14 F N O3 -","- C16 H14 F N O3 -","- C64 H56 F4 N4 O12 -","4","2","WM4133","Lee, Kathleen S.; Turner, Luke; Powell, Cynthia B.; Reinheimer, Eric W.","(<i>S</i>)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid","IUCrData","2020","5","7","x200897","","10.1107/S2414314620008974","","x-ray","1.54184","CuKα","","0.0282","0.0279","","","0.0785","0.079","","","","","","1.054","","","","has coordinates,has disorder","254208","2020-10-21","18:00:00",""
"1558563","8.996","0.0018","15.921","0.003","18.297","0.004","90","","102.59","0.03","90","","2557.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl 3,3'-[(3-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)","","- C29 H25 F N2 O4 -","- C29 H25 F N2 O4 -","- C116 H100 F4 N8 O16 -","4","1","HB4349","Jiang, Hong; Li, Yu-Long; Zhou, Jin; Sun, Hong-Shun; Zhang, Qing-Yu; Shi, Xing-Hao; Zhang, Zhi-Yuan; Ling, Tian","Diethyl 3,3'-[(3-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)","IUCrData","2020","5","7","x200912","","10.1107/S2414314620009128","","","0.71073","MoKα","","0.3412","0.1426","","","0.2527","0.3063","","","","","","1.296","","","","has coordinates,has Fobs","254209","2020-10-21","18:00:00",""
"1558564","5.7173","0.0017","7.346","0.003","12.436","0.004","90","","93.07","0.03","90","","521.6","0.3","295","2","295.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","7a-Phenyltetrahydropyrrolo[2,1-<i>b</i>]oxazol-5(6<i>H</i>)-one","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C24 H26 N2 O4 -","2","1","HB4353","Linkova, Elena I.; Grinev, Vyacheslav S.; Mayorova, Oksana A.; Yegorova, Alevtina Yu.","7a-Phenyltetrahydropyrrolo[2,1-<i>b</i>]oxazol-5(6<i>H</i>)-one","IUCrData","2020","5","7","x200919","","10.1107/S2414314620009190","","x-ray","0.71073","MoKα","","0.0937","0.054","","","0.123","0.1596","","","","","","1.061","","","","has coordinates,has Fobs","254210","2020-10-21","18:00:00",""
"1558565","7.2994","0.0002","9.6105","0.0003","23.9296","0.0008","90","","90","","90","","1678.68","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2-Hydroxyphenyl)(4,2':4',4''-terpyridin-6'-yl)methanone","","- C22 H15 N3 O2 -","- C22 H15 N3 O2 -","- C88 H60 N12 O8 -","4","1","ZQ4040","Devika, S.; Begum, Noor Shahina; Manjappa, Kiran B.; Yang, Ding-Yah","(2-Hydroxyphenyl)(4,2':4',4''-terpyridin-6'-yl)methanone","IUCrData","2020","5","7","x200857","","10.1107/S2414314620008573","","","0.71073","MoKα","","0.0481","0.0377","","","0.0823","0.0876","","","","","","1.103","","","","has coordinates,has Fobs","254211","2020-10-21","18:00:00",""
"1558619","18.75","0.0002","15.8889","0.0002","27.5984","0.0003","90","","90","","90","","8222.03","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Os3(CO)8(PTA)4","1,1,2,2,2,3,3,3-Octacarbonyl-1,1,2,3-tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]decane-κ<i>P</i>)-<i>triangulo</i>-triosmium(0)","","- C32 H48 N12 O8 Os3 P4 -","- C32 H48 N12 O8 Os3 P4 -","- C256 H384 N96 O64 Os24 P32 -","8","1","WM4135","Marolf, David M.; Brehm, Kristen L.; Lynch, Vincent M.; Powell, Gregory L.","1,1,2,2,2,3,3,3-Octacarbonyl-1,1,2,3-tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]decane-κ<i>P</i>)-<i>triangulo</i>-triosmium(0)","IUCrData","2020","5","7","x200935","","10.1107/S2414314620009359","","","1.54184","CuKα","","0.039","0.0321","","","0.0743","0.0761","","","","","","1.141","","","","has coordinates,has disorder,has Fobs","254397","2020-10-21","18:00:00",""
"1558620","55.051","0.017","3.8355","0.0011","35.979","0.012","90","","125.214","0.006","90","","6207","3","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(<i>Z</i>)-5-(4-Bromophenyl)-3-{[(3,5-dichlorophenyl)amino]methylidene}furan-2(3<i>H</i>)-one","","- C17 H10 Br Cl2 N O2 -","- C17 H10 Br Cl2 N O2 -","- C272 H160 Br16 Cl32 N16 O32 -","16","2","VM4045","Mayorova, Oksana A.; Grinev, Vyacheslav S.; Yegorova, Alevtina Yu.","(<i>Z</i>)-5-(4-Bromophenyl)-3-{[(3,5-dichlorophenyl)amino]methylidene}furan-2(3<i>H</i>)-one","IUCrData","2020","5","7","x200937","","10.1107/S2414314620009372","","","0.71073","MoKα","","0.1574","0.0919","","","0.1931","0.22","","","","","","1.057","","","","has coordinates,has Fobs","254398","2020-10-21","18:00:00",""
"1558621","23.6627","0.0012","23.6627","0.0012","10.9815","0.0006","90","","90","","120","","5325","0.5","150","2","150","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","Tris[<i>N</i>,<i>N</i>-bis(3,5-di-<i>tert</i>-butylbenzyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']-μ~3~-sulfido-tris-μ~2~-disulfido-<i>triangulo</i>-trimolybdenum(IV) iodide","","- C93 H138 I Mo3 N3 S13 -","- C93 H138 I Mo3 N3 S13 -","- C186 H276 I2 Mo6 N6 S26 -","2","0.333333","PK4027","Chen, Yueli; Wang, Bo; Fontenot, Patricia; Donahue, James P.","Tris[<i>N</i>,<i>N</i>-bis(3,5-di-<i>tert</i>-butylbenzyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']-μ~3~-sulfido-tris-μ~2~-disulfido-<i>triangulo</i>-trimolybdenum(IV) iodide","IUCrData","2020","5","7","x200939","","10.1107/S2414314620009396","","","0.71073","MoKα","","0.0427","0.0366","","","0.1004","0.1036","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","254399","2020-10-21","18:00:00",""
"1558656","12.6825","0.0008","8.3355","0.0005","7.2205","0.0005","90","","120.444","0.003","90","","658.07","0.08","302","2","302","2","","","","","","","","4","C 1 2 1","C 2y","5","","Poly[diethylammonium [tetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-tricuprate(I)]]","","- C8 H12 Cu3 N5 -","- C8 H12 Cu3 N5 -","- C16 H24 Cu6 N10 -","2","0.5","PK4028","Corfield, Peter W. R.; Stavola, Thomas James","Poly[diethylammonium [tetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-tricuprate(I)]], a two-dimensional network solid","IUCrData","2020","5","7","x200968","","10.1107/S2414314620009682","","","0.7107","MoKα","","0.0464","0.0308","","","0.0623","0.0692","","","","","","1.041","","","","has coordinates,has Fobs","254476","2020-10-21","18:00:00",""
"1558657","9.8084","0.001","11.6806","0.0011","12.0754","0.0013","77.474","0.006","85.686","0.006","80.742","0.006","1331.8","0.2","446","2","446","2","","","","","","","","5","P -1","-P 1","2","","2-[1-(4-<i>tert</i>-Butylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol","","- C31 H26 Cl2 N2 O -","- C31 H26 Cl2 N2 O -","- C62 H52 Cl4 N4 O2 -","2","1","HB4352","Shraddha, K. N.; Begum, Noor Shahina","2-[1-(4-<i>tert</i>-Butylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol","IUCrData","2020","5","7","x200870","","10.1107/S2414314620008706","","","0.71073","MoKα","","0.079","0.0634","","","0.1978","0.2212","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","254477","2020-10-21","18:00:00",""
"1558658","9.2324","0.0003","11.1656","0.0004","23.3497","0.0008","90","","90","","90","","2407.01","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecane-13-spiro-5'-pyrazole-3'-carboxylate","","- C25 H29 Cl N2 O7 -","- C25 H29 Cl N2 O7 -","- C100 H116 Cl4 N8 O28 -","4","1","BT4095","Outahar, Fatima; Moumou, Mohamed; Rakib, El Mostapha; Hannioui, Abdellah; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecane-13-spiro-5'-pyrazole-3'-carboxylate","IUCrData","2020","5","7","x200945","","10.1107/S2414314620009451","","","0.71073","MoKα","","0.0475","0.0381","","","0.1002","0.1074","","","","","","1.04","","","","has coordinates,has Fobs","254478","2020-10-21","18:00:00",""
"1558666","7.9004","0.0002","10.426","0.0003","10.5078","0.0003","99.903","0.002","104.93","0.002","110.061","0.003","752.55","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[[μ-<i>trans</i>-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']-μ-iodido-copper(I)]‒<i>trans</i>-1,2-bis(pyridin-4-yl)ethene (1/0.25)]","","- C15 H12.5 Cu I N2.5 -","- C15 H12.5 Cu I N2.5 -","- C30 H25 Cu2 I2 N5 -","2","1","BH4052","Hoffman, Jessica L.; Akhigbe, Jessie E.; Reinheimer, Eric W.; Smucker, Bradley W.","Poly[[[μ-<i>trans</i>-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']-μ-iodido-copper(I)]‒<i>trans</i>-1,2-bis(pyridin-4-yl)ethene (1/0.25)]","IUCrData","2020","5","7","x200998","","10.1107/S2414314620009980","","","0.71073","MoKα","","0.0542","0.0349","","","0.0817","0.0912","","","","","","1.031","","","","has coordinates,has Fobs","254587","2020-10-21","18:00:00",""
"1558687","13.1494","0.001","9.6899","0.0006","14.8185","0.0013","90","","113.295","0.006","90","","1734.2","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2<i>H</i>-xanthene-9-carboxylate","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","GG4005","Detert, Heiner; Kluge, Laura; Schollmeyer, Dieter","Methyl 3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2<i>H</i>-xanthene-9-carboxylate","IUCrData","2020","5","7","x201018","","10.1107/S2414314620010184","","","0.71073","MoKα","","0.1134","0.0719","","","0.1551","0.1845","","","","","","1.048","","","","has coordinates,has Fobs","254647","2020-10-21","18:00:00",""
"1558688","6.1778","0.0003","7.77","0.0004","14.8862","0.0007","90","","95.935","0.004","90","","710.73","0.06","100.02","0.11","100.02","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diamminebis(1,2-dicyanoethene-1,2-dithiolato)platinum(IV)","","- C8 H6 N6 Pt S4 -","- C8 H6 N6 Pt S4 -","- C16 H12 N12 Pt2 S8 -","2","0.5","BV4032","Siddiqui, Mahaa J.; Nesterov, Volodymyr V.; Steidle, Matthew T.; Smucker, Bradley W.","<i>trans</i>-Diamminebis(1,2-dicyanoethene-1,2-dithiolato)platinum(IV)","IUCrData","2020","5","7","x200980","","10.1107/S2414314620009803","","x-ray","0.71073","MoKα","","0.0202","0.0168","","","0.0373","0.0383","","","","","","1.046","","","","has coordinates,has Fobs","254648","2020-10-21","18:00:00",""
"1558724","9.8726","0.0004","15.8054","0.0007","11.8345","0.0004","90","","94.679","0.001","90","","1840.51","0.13","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(2,2-Dioxo-3,4-dihydrobenzo[<i>e</i>][1,2,3]oxathiazin-4-yl)-3-fluoro-1-phenylindolin-2-one","","- C21 H15 F N2 O4 S -","- C21 H15 F N2 O4 S -","- C84 H60 F4 N8 O16 S4 -","4","1","BT4093","Wu, Mei-Fang; Chen, Ling-Yan; Li, Ya","3-(2,2-Dioxo-3,4-dihydrobenzo[<i>e</i>][1,2,3]oxathiazin-4-yl)-3-fluoro-1-phenylindolin-2-one","IUCrData","2020","5","7","x201028","","10.1107/S2414314620010287","","","0.71073","MoKα","","0.0711","0.0439","","","0.0928","0.1098","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","254734","2020-10-21","18:00:00",""
"1558815","10.534","0.002","10.545","0.002","11.217","0.002","90","","90","","90","","1246","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Trichloridosulfonium(IV) hexachloridouranate(V)","Trichloridosulfonium(IV) hexachloridouranate(V)","","- Cl9 S U -","- Cl9 S U -","- Cl36 S4 U4 -","4","1","WM4134","Deubner, Holger Lars; Ivlev, Sergei I.; Kraus, Florian","Rerefinement of the crystal structure of trichloridosulfonium(IV) hexachloridouranate(V), (SCl~3~)[UCl~6~]","IUCrData","2020","5","7","x200960","","10.1107/S2414314620009608","","","0.71073","MoKα","","0.0201","0.0194","","","0.0432","0.0434","","","","","","1.08","","","","has coordinates,has Fobs","255164","2020-10-21","18:00:00",""
"1558816","7.191","0.005","8.698","0.005","10.987","0.005","112.289","0.005","92.827","0.005","101.656","0.005","616.7","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","Bis(3,5-dinitrobenzoato-κ<i>O</i>)bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)","","- C18 H22 Cd N8 O12 -","- C18 H22 Cd N8 O12 -","- C18 H22 Cd N8 O12 -","1","0.5","WM4132","Ibragimov, Avazbek","Bis(3,5-dinitrobenzoato-κ<i>O</i>)bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)","IUCrData","2020","5","7","x200843","","10.1107/S2414314620008433","","","1.54184","CuKα","","0.0342","0.0327","","","0.0846","0.0864","","","","","","1.06","","","","has coordinates,has Fobs","255165","2020-10-21","18:00:00",""
"1558818","7.8041","0.0006","22.8879","0.0016","25.267","0.0016","90","","90","","90","","4513.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-<i>N</i>'-[(<i>E</i>)-4-Methoxybenzylidene]-2-(methoxyimino)-2-{2-[(2-methylphenoxy)methyl]phenyl}acetohydrazide","","- C25 H25 N3 O4 -","- C25 H25 N3 O4 -","- C200 H200 N24 O32 -","8","2","HB4356","Shripanavar, Chetan Shrimandhar; Butcher, Ray J.","(<i>Z</i>)-<i>N</i>'-[(<i>E</i>)-4-Methoxybenzylidene]-2-(methoxyimino)-2-{2-[(2-methylphenoxy)methyl]phenyl}acetohydrazide","IUCrData","2020","5","8","x201060","","10.1107/S2414314620010603","","","0.71073","MoKα","","0.1314","0.0688","","","0.1184","0.1356","","","","","","0.93","","","","has coordinates,has Fobs","255207","2020-10-21","18:00:00",""
"1558830","8.336","0.0002","10.178","0.0003","16.326","0.0004","82.284","0.002","76.557","0.002","87.081","0.002","1334.73","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Hydroxy-3,4-dimethoxy-10-methylacridin-9-one","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","2","","Araújo, Rodrigo S. A. de; Zondegoumba, Ernestine N. T.; Tankoua, Whisthler L. D.; Nyassé, Barthelemy; Mendonça, Francisco J. B. F.; De Simone, Carlos A.","1-Hydroxy-3,4-dimethoxy-10-methylacridin-9-one","IUCrData","2020","5","8","x201005","","10.1107/S2414314620010056","","","0.71073","MoKα","","0.0723","0.0567","","","0.1687","0.1837","","","","","","1.06","","","","has coordinates","255258","2020-10-21","18:00:00",""
"1558831","12.0239","0.0006","7.1317","0.0003","12.6836","0.0007","90","","101.104","0.004","90","","1067.27","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-12-Selena-13,14-diazatricyclo[9.3.0.0^2,4^]tetradeca-11,13-diene","","- C11 H16 N2 Se -","- C11 H16 N2 Se -","- C44 H64 N8 Se4 -","4","1","HB4354","Detert, Heiner; Schollmeyer, Dieter","<i>rac</i>-12-Selena-13,14-diazatricyclo[9.3.0.0^2,4^]tetradeca-11,13-diene","IUCrData","2020","5","8","x201081","","10.1107/S2414314620010810","","","0.71073","MoKα","","0.0385","0.0348","","","0.0927","0.0965","","","","","","1.099","","","","has coordinates,has Fobs","255259","2020-10-21","18:00:00",""
"1558860","5.3477","0.0004","26.6084","0.0018","7.7367","0.0005","90","","106.715","0.002","90","","1054.37","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetraaquabis(2,3-dihydro-1,4-benzodioxine-2-carboxylato)calcium(II)","","- C18 H22 Ca O12 -","- C18 H22 Ca O12 -","- C36 H44 Ca2 O24 -","2","0.5","HB4355","Camargo-Cortés, Esmit B.; Acosta, Mirna; Martínez, Juan C.; Pineda, Leslie W.","Tetraaquabis(2,3-dihydro-1,4-benzodioxine-2-carboxylato)calcium(II)","IUCrData","2020","5","8","x201092","","10.1107/S2414314620010925","","","0.71073","MoKα","","0.0613","0.057","","","0.1318","0.1332","","","","","","1.385","","","","has coordinates,has Fobs","255344","2020-10-21","18:00:00",""
"1558931","6.7463","0.0003","9.036","0.0004","9.3954","0.0004","81.005","0.002","85.099","0.002","88.7","0.002","563.6","0.04","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(4-Ethoxy-2,5-dinitrophenyl)acetamide","","- C10 H11 N3 O6 -","- C10 H11 N3 O6 -","- C20 H22 N6 O12 -","2","1","HB4359","Uppu, Sannihith N.; Agu, Ogad A.; Deere, Curtistine J.; Fronczek, Frank R.","<i>N</i>-(4-Ethoxy-2,5-dinitrophenyl)acetamide","IUCrData","2020","5","8","x201121","","10.1107/S2414314620011219","","","0.71073","MoKα","","0.0481","0.0375","","","0.1043","0.1111","","","","","","1.041","","","","has coordinates,has Fobs","255748","2020-10-21","18:00:00",""
"1559018","24.7168","0.0008","16.6156","0.0005","8.3805","0.0003","90","","90","","90","","3441.7","0.2","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","<i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>,<i>N</i>'-trimethylethylenediamine)nickel(II) dichloride","","- C10 H32 Cl2 N4 Ni O2 -","- C10 H32 Cl2 N4 Ni O2 -","- C80 H256 Cl16 N32 Ni8 O16 -","8","0.5","WM4136","Miecznikowski, John R.; Jasinski, Jerry P.; Flaherty, Nicole F.; Mircovich, Emma E.; Smolinsky, Allison N.; Bertolotti, Natalia R.","<i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>,<i>N</i>'-trimethylethylenediamine)nickel(II) dichloride","IUCrData","2020","5","9","x201182","","10.1107/S2414314620011827","","x-ray","0.71073","MoKα","","0.0267","0.025","","","0.0627","0.0636","","","","","","1.032","","","","has coordinates,has Fobs","256244","2020-10-21","18:00:00",""
"1559019","5.5622","0.0007","18.891","0.002","9.6524","0.0013","90","","104.454","0.013","90","","982.1","0.2","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 1<i>H</i>-indole-2-carboxylate","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","BH4054","Lynch, Will E.; Whitlock, Christine R.; Padgett, Clifford W.","Ethyl 1<i>H</i>-indole-2-carboxylate","IUCrData","2020","5","9","x201205","","10.1107/S2414314620012055","","x-ray","0.71073","MoKα","","0.1062","0.0494","","","0.1134","0.1436","","","","","","1.009","","","","has coordinates,has Fobs","256245","2020-10-21","18:00:00",""
"1559020","7.4768","0.0003","16.219","0.0009","19.4101","0.001","90","","90","","90","","2353.8","0.2","295","1","295","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(25<i>R</i>)-Spirost-4-en-3,6-dione","","- C27 H38 O4 -","- C27 H38 O4 -","- C108 H152 O16 -","4","1","ZQ4041","Guerrero-Luna, Gabriel; Reyes Melchor, Jaquelin; Bernès, Sylvain; Hernández-Linares, María-Guadalupe","Diosgenin-3,6-dione: second polymorph in space group <i>P</i>2~1~2~1~2~1~","IUCrData","2020","5","9","x201200","","10.1107/S2414314620012006","","x-ray","0.56083","AgKα","","0.0694","0.0396","","","0.0825","0.0911","","","","","","0.884","","","","has coordinates,has Fobs","256246","2020-10-21","18:00:00",""
"1559021","12.71423","0.00013","17.04149","0.00018","26.1784","0.0003","90","","96.7054","0.0009","90","","5633.26","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ~4~-adamantane-1,3-dicarboxylato-1κ<i>O</i>^1^:2κ<i>O</i>^1'^:3κ<i>O</i>^3^:4κ<i>O</i>^3'^)octacarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-tetrakis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-tetraosmium(I)(2 <i>Os</i>‒<i>Os</i>)","","- C116 H112 O16 Os4 P4 -","- C116 H112 O16 Os4 P4 -","- C232 H224 O32 Os8 P8 -","2","0.5","WM4137","Zometa Paniagua, Diego F.; Powell, Gregory L.; Powell, Cynthia B.; Reinheimer, Eric W.","Bis(μ~4~-adamantane-1,3-dicarboxylato-1κ<i>O</i>^1^:2κ<i>O</i>^1'^:3κ<i>O</i>^3^:4κ<i>O</i>^3'^)octacarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-tetrakis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-tetraosmium(I)(2 <i>Os</i>‒<i>Os</i>)","IUCrData","2020","5","9","x201204","","10.1107/S2414314620012043","","x-ray","1.54184","CuKα","","0.0284","0.0273","","","0.069","0.0697","","","","","","1.056","","","","has coordinates,has Fobs","256247","2020-10-21","18:00:00",""
"1559022","9.642","0.005","11.407","0.005","17.858","0.008","90","","103.606","0.005","90","","1909","1.6","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","11,11-Diphenyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","HB4357","Chen, Lin; Hu, Jin; Wu, Li-Li; Sun, Hong-Shun","11,11-Diphenyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline","IUCrData","2020","5","9","x201213","","10.1107/S2414314620012134","","","0.71073","MoKα","","0.0616","0.0427","","","0.0975","0.1081","","","","","","1.033","","","","has coordinates,has Fobs","256248","2020-10-21","18:00:00",""
"1559023","12.4519","0.0005","7.8785","0.0003","15.668","0.0007","90","","105.253","0.0016","90","","1482.92","0.11","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-(2-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","","- C20 H16 O3 -","- C20 H16 O3 -","- C80 H64 O12 -","4","1","HB4362","Sung, Jiha","3-(2-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","IUCrData","2020","5","9","x201209","","10.1107/S2414314620012092","","","0.71073","MoKα","","0.06","0.0424","","","0.102","0.1126","","","","","","1.025","","","","has coordinates,has Fobs","256249","2020-10-21","18:00:00",""
"1559074","9.394","0.005","9.802","0.005","11.914","0.006","88.983","0.005","73.144","0.005","69.488","0.005","979","0.9","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","6-(3,4-Difluorophenyl)-7,8,13,14-tetrahydrodibenzo[<i>c</i>,<i>k</i>]phenanthridine","","- C27 H19 F2 N -","- C27 H19 F2 N -","- C54 H38 F4 N2 -","2","1","HB4358","Fang, Yiwen; Liu, Bingbing; Jia, Zhixiang","6-(3,4-Difluorophenyl)-7,8,13,14-tetrahydrodibenzo[<i>c</i>,<i>k</i>]phenanthridine","IUCrData","2020","5","9","x201241","","10.1107/S2414314620012419","","","0.71073","MoKα","","0.081","0.0627","","","0.1751","0.1895","","","","","","1.057","","","","has coordinates,has Fobs","256388","2020-10-21","18:00:00",""
"1559075","7.725","0.003","12.721","0.003","14.609","0.004","70.67","0.03","82.88","0.03","80.46","0.03","1332.3","0.8","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","Diaquabis(4-ferrocenyl-1,1,1-trifluoro-4-oxobutan-2-olato)cobalt(II)","","- C28 H24 Co F6 Fe2 O6 -","- C28 H24 Co F6 Fe2 O6 -","- C56 H48 Co2 F12 Fe4 O12 -","2","1","HB4360","Wang, Shujing; Han, Heguo; Han, Yuyang","Diaquabis(4-ferrocenyl-1,1,1-trifluoro-4-oxobutan-2-olato)cobalt(II)","IUCrData","2020","5","9","x201240","","10.1107/S2414314620012407","","","1.54186","CuKα","","0.07","0.0485","","","0.1138","0.1273","","","","","","1.05","","","","has coordinates,has Fobs","256389","2020-10-21","18:00:00",""
"1559092","13.2096","0.0014","4.9765","0.0005","13.5673","0.0014","90","","98.603","0.002","90","","881.85","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Diamino-4-chloropyrimidine‒succinic acid (2/1)","","- C12 H16 Cl2 N8 O4 -","- C12 H16 Cl2 N8 O4 -","- C24 H32 Cl4 N16 O8 -","2","0.5","HB4365","Chakkarapani, Nandhini; Murugan, Suganya; Ibrahim, Abdul Razak; Kavitha, Savaridasan Jose; Hemamalini, Madhukar; Rajakannan, Venkatachalam","2,6-Diamino-4-chloropyrimidine‒succinic acid (2/1)","IUCrData","2020","5","9","x201239","","10.1107/S2414314620012390","","","0.71073","MoKα","","0.0545","0.0434","","","0.1171","0.1282","","","","","","1.04","","","","has coordinates,has Fobs","256454","2020-10-21","18:00:00",""
"1559093","8.4636","0.0013","9.8402","0.0015","22.701","0.003","90","","105.917","0.005","90","","1818.1","0.5","296.15","","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3<i>Z</i>,5<i>E</i>)-2-Amino-4,6-bis(pyridin-3-yl)hepta-1,3,5-triene-1,1,3-tricarbonitrile","","- C20 H14 N6 -","- C20 H14 N6 -","- C80 H56 N24 -","4","1","HB4363","Cai, Changting; Lin, Bicheng; Wu, Wenxuan; Zhu, Qingwei","(3<i>Z</i>,5<i>E</i>)-2-Amino-4,6-bis(pyridin-3-yl)hepta-1,3,5-triene-1,1,3-tricarbonitrile","IUCrData","2020","5","9","x201246","","10.1107/S2414314620012468","","","0.71073","MoKα","","0.0491","0.0419","","","0.1083","0.1141","","","","","","1.033","","","","has coordinates,has Fobs","256455","2020-10-21","18:00:00",""
"1559124","16.7584","0.0015","13.6696","0.0014","16.0291","0.0017","90","","111.125","0.005","90","","3425.2","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-Oxybis[1,3-bis(4-methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>d</i>][1,3,2]diazaborole]","","- C40 H36 B2 N4 O5 -","- C40 H36 B2 N4 O5 -","- C160 H144 B8 N16 O20 -","4","1","HB4361","Mallard, Hannah H.; Kennedy, Nicholas D.; Rudman, Nathan A.; Greenwood, Alexa M.; Nicoleau, Jonathan; Angle, Corey E.; Torquato, Nicole A.; Gau, Micheal R.; Carroll, Patrick J.; Anstey, Mitchell R.","2,2'-Oxybis[1,3-bis(4-methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>d</i>][1,3,2]diazaborole]","IUCrData","2020","5","9","x201248","","10.1107/S2414314620012481","","","0.71073","MoKα","","0.0599","0.0387","","","0.0839","0.0927","","","","","","1.021","","","","has coordinates,has Fobs","256562","2020-10-21","18:00:00",""
"1559209","9.8291","0.0008","10.0499","0.0008","11.0308","0.0009","98.825","0.007","90.9","0.007","117.747","0.006","948.19","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis[tris(pyridin-2-yl)amine]iron(II) tris(dicyanomethylidene)methanediide","","- C40 H24 Fe N14 -","- C40 H24 Fe N14 -","- C40 H24 Fe N14 -","1","0.5","IM4010","Setifi, Zouaoui; Setifi, Fatima; Dege, Necmi; Al-Douh, Mohammed Hadi; Glidewell, Christopher","Bis[tris(pyridin-2-yl)amine]iron(II) tris(dicyanomethylidene)methanediide","IUCrData","2020","5","9","x201278","","10.1107/S241431462001278X","","","0.71073","MoKα","","0.0994","0.0673","","","0.1495","0.1641","","","","","","0.961","","","","has coordinates,has Fobs","256799","2020-10-21","18:00:00",""
"1559210","8.2694","0.0003","21.1783","0.0008","10.705","0.0004","90","","111.117","0.001","90","","1748.89","0.11","99.99","","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10-Phenyl-10<i>H</i>-phenoxazine-4,6-diol tetrahydrofuran monosolvate","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","1","PK4031","Whalen, Aislinn C.; Hernandez Brito, Claudia; Choi, Kyoung H.; Warner, Ellen J. T.; Thole, David A.; Gau, Michael R.; Carroll, Patrick J.; Anstey, Mitchell R.","10-Phenyl-10<i>H</i>-phenoxazine-4,6-diol tetrahydrofuran monosolvate","IUCrData","2020","5","9","x201276","","10.1107/S2414314620012766","","","0.71073","MoKα","","0.0482","0.0365","","","0.0838","0.0897","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","256800","2020-10-21","18:00:00",""
"1559211","20.6543","0.0003","8.365","0.0001","17.5215","0.0003","90","","97.371","0.002","90","","3002.23","0.08","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2-Bis[3,5-bis(dimethylamino)phenyl]-1,1,1,3,3,3-hexamethyltrisilane","","- C26 H48 N4 Si3 -","- C26 H48 N4 Si3 -","- C104 H192 N16 Si12 -","4","1","IS4044","Mizuhata, Yoshiyuki; Iwai, Kento; Tokitoh, Norihiro","2,2-Bis[3,5-bis(dimethylamino)phenyl]-1,1,1,3,3,3-hexamethyltrisilane","IUCrData","2020","5","9","x201299","","10.1107/S2414314620012997","","","0.71073","MoKα","","0.0397","0.0325","","","0.0817","0.0863","","","","","","1.038","","","","has coordinates,has Fobs","256801","2020-10-21","18:00:00",""
"1559228","7.577","0.0006","7.6838","0.0006","10.2038","0.0008","101.843","0.006","90.893","0.006","104.642","0.006","561.11","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","<i>rac</i>-(<i>E</i>,<i>trans</i>)-4-Bromo-10,10-dimethyl-9,11-dioxabicyclo[6.3.0]undec-4-ene","","- C11 H17 Br O2 -","- C11 H17 Br O2 -","- C22 H34 Br2 O4 -","2","1","BT4098","Schollmeyer, Dieter; Heidrich, Maximilian; Detert, Heiner","<i>rac</i>-(<i>E</i>,<i>trans</i>)-4-Bromo-10,10-dimethyl-9,11-dioxabicyclo[6.3.0]undec-4-ene","IUCrData","2020","5","9","","","10.1107/S2414314620013024","","","0.71073","MoKα","","0.0371","0.0337","","","0.0851","0.0871","","","","","","1.147","","","","has coordinates,has Fobs","256882","2020-10-21","18:00:00",""
"1559229","7.655","0.0014","15.329","0.003","18.486","0.004","90","","92.088","0.007","90","","2167.8","0.7","98","","98","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Chlorido(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(trifluoromethanesulfonato-κ<i>O</i>)zinc(II) acetonitrile monosolvate","","- C18 H13 Cl2 F3 N4 O3 S Zn -","- C18 H13 Cl2 F3 N4 O3 S Zn -","- C72 H52 Cl8 F12 N16 O12 S4 Zn4 -","4","1","VM4046","Adrian, Rafael A.; Arman, Hadi D.","Chlorido(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(trifluoromethanesulfonato-κ<i>O</i>)zinc(II) acetonitrile monosolvate","IUCrData","2020","5","9","","","10.1107/S2414314620012924","","","0.71075","MoKα","","0.0298","0.027","","","0.0736","0.0751","","","","","","1.053","","","","has coordinates,has Fobs","256883","2020-10-21","18:00:00",""
"1559332","7.413","0.0008","9.2858","0.0007","10.1238","0.001","90","","102.841","0.01","90","","679.45","0.12","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pyridine-4-carboxamidoxime <i>N</i>-oxide","(<i>Z</i>)-4-(<i>N</i>'-Hydroxycarbamimidoyl)pyridine <i>N</i>-oxide","","- C6 H7 N3 O2 -","- C6 H7 N3 O2 -","- C24 H28 N12 O8 -","4","1","BH4056","Padgett, Clifford W.; Sheriff, Kirkland; Lynch, Will E.","Pyridine-4-carboxamidoxime <i>N</i>-oxide","IUCrData","2020","5","10","x201335","","10.1107/S2414314620013358","","x-ray","0.71073","MoKα","","0.0553","0.0392","","","0.0922","0.1009","","","","","","1.042","","","","has coordinates,has Fobs","258303","2020-10-21","18:00:00",""
"1559333","24.7018","0.0006","6.3093","0.0001","13.2103","0.0003","90","","118.05","0.0008","90","","1817.01","0.07","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(Dimethylamino)benzohydrazide","","- C9 H13 N3 O -","- C9 H13 N3 O -","- C72 H104 N24 O8 -","8","1","HB4366","Kelley, Steven P.; Mossine, Valeri V.; Mawhinney, Thomas P.","4-(Dimethylamino)benzohydrazide","IUCrData","2020","5","10","x201310","","10.1107/S2414314620013103","","","1.54178","CuKα","","0.0365","0.0363","","","0.098","0.0982","","","","","","1.067","","","","has coordinates,has Fobs","258304","2020-10-21","18:00:00",""
"1559354","12.1001","0.0019","13.3139","0.0018","13.4869","0.0012","62.471","0.009","63.694","0.007","87.388","0.011","1692.2","0.4","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","(4'-Chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(nitrato-κ<i>O</i>)zinc(II)","","- C15 H10 Cl N5 O6 Zn -","- C15 H10 Cl N5 O6 Zn -","- C60 H40 Cl4 N20 O24 Zn4 -","4","2","","Adrian, Rafael A.; Canales, Daniela; Arman, Hadi D.","(4'-Chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(nitrato-κ<i>O</i>)zinc(II)","IUCrData","2020","5","10","x201344","","10.1107/S2414314620013449","","","0.71073","MoKα","","0.0481","0.0427","","","0.104","0.1092","","","","","","1.014","","","","has coordinates,has Fobs","258363","2020-10-21","18:00:00",""
"1559391","6.3136","0.0002","11.6138","0.0005","12.633","0.0005","90","","95.292","0.003","90","","922.36","0.06","150","2","150.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-Methoxypentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-dione","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","BT4099","Kotha, Sambasivarao; Ansari, Saima; Cheekatla, Subba Rao","7-Methoxypentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-dione","IUCrData","2020","5","10","x201380","","10.1107/S2414314620013802","","","0.71073","MoKα","","0.0551","0.0477","","","0.1075","0.1106","","","","","","1.096","","","","has coordinates,has Fobs","258520","2020-10-21","05:24:37",""
"1559407","6.5499","0.0003","7.6232","0.0003","25.6211","0.0011","90","","96.216","0.001","90","","1271.77","0.09","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Hydroxy-5-nitrobenzaldehyde(2'-hydroxy-5'-methylphenyl)imine","6-[(2-Hydroxy-5-methylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","HB4367","Böhme, Uwe; Fels, Sabine","6-[(2-Hydroxy-5-methylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one","IUCrData","2020","5","10","x201384","","10.1107/S241431462001384X","","","0.71073","MoKα","","0.0637","0.0412","","","0.099","0.1141","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","258592","2020-10-24","04:23:18",""
"1559408","25.006","0.002","5.0337","0.0006","8.5646","0.0006","90","","90","","90","","1078.05","0.17","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(8-Hydroxy-6-methoxy-1-oxo-1<i>H</i>-isochromen-3-yl)methyl formate","","- C12 H10 O6 -","- C12 H10 O6 -","- C48 H40 O24 -","4","1","","Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen","(8-Hydroxy-6-methoxy-1-oxo-1<i>H</i>-isochromen-3-yl)methyl formate: a supramolecular framework","IUCrData","2020","5","10","x201391","","10.1107/S2414314620013917","","","0.71073","MoKα","","0.0743","0.0503","","","0.1204","0.1352","","","","","","0.908","","","","has coordinates,has Fobs","258593","2020-10-24","04:23:41",""
"1559417","17.7519","0.0011","30.485","0.0011","17.7526","0.0008","90","","91.061","0.001","90","","9605.5","0.8","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Al2.95 Cr0.59 -","- Al2.95407 Cr0.586161 -","- Al514.008 Cr101.992 -","174","21.75","WM4139","Geng, Xu; Wen, Bin; Fan, Changzeng","Crystal structure of Al2.95Cr0.59, a phase closely related to the η-phase in the binary Al‒Cr system","IUCrData","2020","5","10","","","10.1107/S2414314620014121","","","0.71073","MoKα","","0.0851","0.0444","","","0.0712","0.0809","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","258621","2020-10-28","05:34:13",""
"1559437","9.9429","0.0005","9.3845","0.0005","20.7845","0.0011","90","","91.55","0.002","90","","1938.67","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C72 H92 N4 O28 -","4","1","HB4364","Dallasta Pedroso, Sofia; Caracelli, Ignez; Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Correia, Carlos Roque D.; Llanes Garcia, Ariel L.; Tiekink, Edward R. T.","Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate","IUCrData","2020","5","10","x201228","","10.1107/S2414314620012286","","","0.71073","MoKα","","0.0785","0.049","","","0.1213","0.1403","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","258664","2020-10-31","05:46:23",""
"1559484","6.1056","0.0003","10.8114","0.0007","15.5867","0.0009","90","","90","","90","","1028.88","0.1","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)trimethylsilane","","- C8 H16 N2 Si -","- C8 H16 N2 Si -","- C32 H64 N8 Si4 -","4","1","SJ4215","Böhme, Uwe; Bitto, Florian","(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)trimethylsilane","IUCrData","2020","5","11","x201444","","10.1107/S2414314620014443","","","0.71073","MoKα","","0.0313","0.0296","","","0.0786","0.0802","","","","","","1.091","","","","has coordinates,has Fobs","259032","2020-11-07","05:33:31",""
"1559529","16.2976","0.0008","6.1294","0.0002","12.2221","0.0006","90","","99.07","0.004","90","","1205.65","0.09","119.98","0.1","119.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(Naphthalen-2-yl)methyl]isothiouronium bromide","","- C12 H13 Br N2 S -","- C12 H13 Br N2 S -","- C48 H52 Br4 N8 S4 -","4","1","SJ4217","Eigner, Václav","Crystal structure of 2-[(naphthalen-2-yl)methyl]isothiouronium bromide","IUCrData","2020","5","11","x201511","","10.1107/S2414314620015114","","x-ray","1.54184","CuKα","","0.0424","0.0304","","","0.0757","0.0806","","","","1.26","1.26","1.18","","","","has coordinates,has Fobs","259164","2020-11-18","05:22:42",""
"1559541","25.348","0.002","7.3059","0.0005","19.347","0.001","90","","94.19","0.006","90","","3573.3","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(3,5-dinitrobenzoyl)-4-(2-methoxyphenyl)piperazine","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C144 H144 N32 O48 -","8","1","TK4065","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","1-(3,5-Dinitrobenzoyl)-4-(2-methoxyphenyl)piperazine","IUCrData","2020","5","11","x201523","","10.1107/S2414314620015230","","","0.71073","MoKα","","0.0804","0.0469","","","0.0987","0.1127","","","","","","1.024","","","","has coordinates,has Fobs","259214","2020-11-21","05:37:01",""
"1559549","8.4257","0.0011","9.0522","0.0009","22.237","0.002","90","","98.303","0.012","90","","1678.3","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-Thia-1,5(1,3)-dibenzenacycloundecaphan-8-ene-6,11-dione 3,3-dioxide","","- C20 H18 O4 S -","- C20 H18 O4 S -","- C80 H72 O16 S4 -","4","1","BT4102","Kotha, Sambasivarao; Gupta, Naveen Kumar; Ansari, Saima","(<i>E</i>)-3-Thia-1,5(1,3)-dibenzenacycloundecaphan-8-ene-6,11-dione 3,3-dioxide","IUCrData","2020","5","11","x201464","","10.1107/S2414314620014649","","x-ray","0.71073","MoKα","","0.1286","0.0694","","","0.1261","0.1654","","","","","","1.042","","","","has coordinates,has Fobs","259246","2020-11-25","05:35:58",""
"1559576","7.86","0.003","10.439","0.004","11.713","0.005","76.236","0.014","73.653","0.013","68.852","0.012","850.1","0.6","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","4-Hydroxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptammonium chloride","<i>N</i>-[2-(4-Hydroxy-1<i>H</i>-indol-3-yl)ethyl]-<i>N</i>-propylpropan-1-aminium chloride","","- C16 H25 Cl N2 O -","- C16 H25 Cl N2 O -","- C32 H50 Cl2 N4 O2 -","2","1","SJ4218","Sammeta, Vamshikrishna Reddy; Rasapalli, Sivappa; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The hydrochloride salt of 4-hydroxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptamine (4-HO-DPT)","IUCrData","2020","5","11","x201546","","10.1107/S2414314620015461","","","0.71073","MoKα","","0.0617","0.0363","","","0.0955","0.1029","","","","","","1.029","","","","has coordinates,has Fobs","259273","2020-11-28","05:32:07",""
"1559703","9.2554","0.0003","11.5721","0.0004","31.9214","0.001","90","","90","","90","","3418.92","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-({[(2<i>S</i>)-1-Hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)-4,6-bis(4-methylphenyl)phenol","","- C42 H37 N O2 -","- C42 H37 N O2 -","- C168 H148 N4 O8 -","4","1","SJ4216","Show, Veronica L.; Fok, Emily Y.; Johnson, Adam R.","2-({[(2<i>S</i>)-1-Hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)-4,6-bis(4-methylphenyl)phenol","IUCrData","2020","5","12","x201576","","10.1107/S241431462001576X","","x-ray","0.71073","MoKα","","0.0973","0.0524","","","0.0976","0.1122","","","","","","1.007","","","","has coordinates,has Fobs","259558","2020-12-05","05:47:04",""
"1559755","7.535","0.0018","7.6723","0.0017","9.372","0.002","90.136","0.018","90.773","0.019","118.555","0.017","475.8","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5,12-Diselena-3,4,13,14-tetraazatricyclo[9.3.0.0^2,6^]tetradeca-3,13-diene","","- C8 H8 N4 Se2 -","- C8 H8 N4 Se2 -","- C16 H16 N8 Se4 -","2","1","BT4104","Detert, Heiner; Schollmeyer, Dieter","5,12-Diselena-3,4,13,14-tetraazatricyclo[9.3.0.0^2,6^]tetradeca-3,13-diene","IUCrData","2020","5","12","x201585","","10.1107/S2414314620015850","","","0.71073","MoKα","","0.0754","0.0649","","","0.1937","0.2166","","","","","","1.116","","","","has coordinates,has Fobs","259834","2020-12-12","06:03:27",""
"1559756","6.0147","0.0002","18.8172","0.0004","20.453","0.0005","90","","90","","90","","2314.87","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Fluoro-2-({[(2<i>R</i>)-1-hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)phenol","","- C28 H24 F N O2 -","- C28 H24 F N O2 -","- C112 H96 F4 N4 O8 -","4","1","HB4369","Sha, Fanrui; Johnson, Adam R.","4-Fluoro-2-({[(2<i>R</i>)-1-hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)phenol","IUCrData","2020","5","12","x201580","","10.1107/S2414314620015801","","x-ray","0.71073","MoKα","","0.0616","0.0448","","","0.0918","0.0979","","","","","","1.031","","","","has coordinates,has Fobs","259835","2020-12-12","06:04:21",""
"1559757","10.8217","0.0002","11.1644","0.0002","18.2804","0.0005","90","","90","","90","","2208.6","0.08","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Ircinianin","(2<i>S</i>,3'<i>S</i>,3a'<i>R</i>,5'<i>R</i>,7a'<i>R</i>)-5'-[(<i>E</i>)-5-(Furan-3-yl)-2-methylpent-1-en-1-yl]-3-hydroxy-3',4,7'-trimethyl-1',2',3',3a',5',7a'-hexahydro-5<i>H</i>-spiro[furan-2,4'-inden]-5-one","","- C25 H32 O4 -","- C25 H32 O4 -","- C100 H128 O16 -","4","1","BT4103","Majer, Thomas; Schollmeyer, Dieter; Koch, Pierre; Gross, Harald","(2<i>S</i>,3'<i>S</i>,3a'<i>R</i>,5'<i>R</i>,7a'<i>R</i>)-5'-[(<i>E</i>)-5-(Furan-3-yl)-2-methylpent-1-en-1-yl]-3-hydroxy-3',4,7'-trimethyl-1',2',3',3a',5',7a'-hexahydro-5<i>H</i>-spiro[furan-2,4'-inden]-5-one","IUCrData","2020","5","12","x201578","","10.1107/S2414314620015783","","","1.54186","CuKα","","0.033","0.032","","","0.0841","0.0856","","","","","","1.077","","","","has coordinates,has Fobs","259836","2020-12-12","06:04:51",""
"1559812","6.8203","0.0008","8.6934","0.001","15.865","0.002","90","","90","","90","","940.66","0.19","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ethyl α-<i>L</i>-sorboside","","- C8 H16 O6 -","- C8 H16 O6 -","- C32 H64 O24 -","4","1","BV4033","Nagayama, Natsumi; Taniguchi, Norito; Matsumoto, Mao; Takeshita, Kei; Ishii, Tomohiko","Ethyl α-<small>L</small>-sorboside","IUCrData","2020","5","12","x201625","","10.1107/S2414314620016259","","","1.54187","CuKα","","0.0398","0.0366","","","0.0891","0.0904","","","","","","1.073","","","","has coordinates,has Fobs","260019","2020-12-19","06:56:33",""
"1559847","5.9196","0.0003","7.3562","0.0004","21.1126","0.0012","90","","90","","90","","919.36","0.09","173","2","173.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2-<i>O</i>-Isopropylidene-β-D-<i>lyxo</i>-furanose","","- C8 H14 O5 -","- C8 H14 O5 -","- C32 H56 O20 -","4","1","ZQ4044","Doboszewski, Bogdan; Nazarenko, Alexander Y.","1,2-<i>O</i>-Isopropylidene-β-<small>D</small>-<i>lyxo</i>-furanose","IUCrData","2020","5","12","x201630","","10.1107/S2414314620016302","","","0.71073","MoKα","","0.0566","0.0425","","","0.1004","0.1086","","","","","","1.028","","","","has coordinates,has Fobs","260117","2020-12-23","06:30:04",""
"1559848","5.9216","0.0003","7.3539","0.0004","21.1087","0.0012","90","","90","","90","","919.22","0.09","173","2","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 O5 -","- C8 H14 O5 -","- C32 H56 O20 -","4","1","","Doboszewski, Bogdan; Nazarenko, Alexander Y.","1,2-<i>O</i>-Isopropylidene-β-<small>D</small>-<i>lyxo</i>-furanose","IUCrData","2020","5","12","x201630","","10.1107/S2414314620016302","","","1.54178","CuKα","","0.0775","0.0303","","","0.0757","0.0895","","","","","","1.052","","","","has coordinates","260118","2020-12-23","06:30:24",""
"1559849","4.9306","0.0001","15.7882","0.0005","21.0651","0.0006","90","","90","","90","","1639.82","0.08","173","2","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1-naphthalenemethanol","Naphthalen-1-ylmethanol","","- C11 H10 O -","- C11 H10 O -","- C88 H80 O8 -","8","1","HB4373","Nazarenko, Alexander Y.","Naphthalen-1-ylmethanol","IUCrData","2020","5","12","x201646","","10.1107/S2414314620016466","","","0.71073","MoKα","","0.0712","0.0505","","","0.1282","0.1438","","","","","","1.035","","","","has coordinates,has Fobs","260119","2020-12-23","06:30:58",""
"1559865","9.5637","0.0003","9.5637","0.0003","36.3395","0.001","90","","90","","90","","3323.77","0.17","173","2","173.15","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","(+)-3-naphthoylcamphor","(1<i>R</i>,3<i>S</i>,4<i>R</i>)-1,7,7-Trimethyl-3-(naphthalen-2-ylcarbonyl)bicyclo[2.2.1]heptan-2-one","","- C21 H22 O2 -","- C21 H22 O2 -","- C168 H176 O16 -","8","1","BV4034","Bendia, Sabrina; Ouari, Kamel; Ait Ali, Mustapha; el Firdousi, Larbi; Nazarenko, Alexander Y.","1,7,7-Trimethyl-3-(naphthalen-2-ylcarbonyl)bicyclo[2.2.1]heptan-2-one","IUCrData","2020","5","12","x201662","","10.1107/S2414314620016624","","","1.54178","CuKα","","0.0455","0.0424","","","0.108","0.1102","","","","","","1.052","","","","has coordinates,has Fobs","260149","2020-12-25","05:40:25",""
"1567248","7.908","0.007","7.441","0.008","9.88","0.009","90","","104.91","0.03","90","","561.8","0.9","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6,7-Dihydro-5<i>H</i>-pyrrolo[1,2-<i>a</i>]imidazole","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","WM4129","Morales-Collazo, Oscar; Lynch, Vincent M.; Brennecke, Joan F.","6,7-Dihydro-5H-pyrrolo[1,2-a]imidazole","IUCrData","2020","5","5","x200681","","10.1107/s2414314620006811","","x-ray","0.71073","MoKα","","0.0519","0.0418","","","0.1167","0.1231","","","","","","1.05","","","","has coordinates,has Fobs","276715","2022-07-06","23:15:17",""