# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T00:44:27+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 'ACS Omega') AND volume = 7 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
"4519308","16.9883","0.0004","11.5454","0.0003","25.4733","0.0006","90","","104.9","0.001","90","","4828.3","0.2","299","2","299","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","CQN2","","- C68 H42 N6 -","- C34 H21 N3 -","- C272 H168 N24 -","8","1","","Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas","Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application","ACS Omega","2022","7","4","3722","3730","10.1021/acsomega.1c06390","","","0.71073","MoKα","","0.0756","0.0467","","","0.1236","0.1384","","","","","","1.139","","","","has coordinates","272479","2022-02-03","21:24:37",""
"4519309","5.4935","0.0005","23.625","0.002","18.7705","0.0019","90","","91.838","0.003","90","","2434.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","CQN1","","- C34 H21 N3 -","- C34 H21 N3 -","- C136 H84 N12 -","4","1","","Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas","Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application","ACS Omega","2022","7","4","3722","3730","10.1021/acsomega.1c06390","","","0.71073","MoKα","","0.1122","0.0773","","","0.1981","0.2221","","","","","","1.095","","","","has coordinates","272480","2022-02-03","21:25:01",""
"4519310","22.7897","0.0016","11.5629","0.0011","18.4891","0.0013","90","","90","","90","","4872.2","0.7","297","2","297","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","CQM","","- C34 H24 N2 -","- C34 H24 N2 -","- C272 H192 N16 -","8","1","","Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas","Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application","ACS Omega","2022","7","4","3722","3730","10.1021/acsomega.1c06390","","","0.71073","MoKα","","0.073","0.0398","","","0.0927","0.1137","","","","","","1.021","","","","has coordinates","272481","2022-02-03","21:25:24",""
"4519311","8.6805","0.0002","9.276","0.0002","10.4682","0.0002","75.499","0.001","83.008","0.001","67.834","0.001","755.39","0.03","296","1","296","1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N3 O3 S -","- C15 H15 N3 O3 S -","- C30 H30 N6 O6 S2 -","2","1","","Oh, In Seok; Seo, Ye Ji; Hyun, Ji Young; Lim, Hwan Jung; Lee, Duck-Hyung; Park, Seong Jun","Acid-Catalyzed Hydrolysis and Intramolecular Cyclization of <i>N</i>-Cyano Sulfoximines for the Synthesis of Thiadiazine 1-Oxides.","ACS omega","2022","7","2","2160","2169","10.1021/acsomega.1c05570","","","0.71073","MoKα","","0.0675","0.0501","","","0.1288","0.1378","","","","","","1.073","","","","has coordinates","272482","2022-02-03","21:25:44",""
"4519312","9.9488","0.0006","12.8366","0.0007","18.5222","0.0011","90","","90","","90","","2365.4","0.2","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","S-216","","","- C13 H11 N3 O S -","- C13 H11 N3 O S -","- C104 H88 N24 O8 S8 -","8","2","","Oh, In Seok; Seo, Ye Ji; Hyun, Ji Young; Lim, Hwan Jung; Lee, Duck-Hyung; Park, Seong Jun","Acid-Catalyzed Hydrolysis and Intramolecular Cyclization of <i>N</i>-Cyano Sulfoximines for the Synthesis of Thiadiazine 1-Oxides.","ACS omega","2022","7","2","2160","2169","10.1021/acsomega.1c05570","","","0.71073","MoKα","","0.053","0.0427","","","0.0929","0.0962","","","","","","0.992","","","","has coordinates","272483","2022-02-03","21:26:05",""
"4519313","12.1286","0.0012","11.7919","0.0011","21.603","0.002","90","","92.461","0.003","90","","3086.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Eu2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2","'Eu2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2'","","- C62 H44 Cl4 Eu2 N10 O12 -","- C62 H44 Cl4 Eu2 N10 O12 -","- C124 H88 Cl8 Eu4 N20 O24 -","2","0.5","","Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong","3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence.","ACS omega","2022","7","3","2604","2612","10.1021/acsomega.1c04728","","","0.71073","MoKα","","0.0376","0.0352","","","0.1235","0.1308","","","","","","1.013","","","","has coordinates","272484","2022-02-03","21:26:26",""
"4519314","12.0593","0.0001","11.7251","0.0001","21.6822","0.0002","90","","92.72","0.001","90","","3062.33","0.05","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Dy2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2","'Dy2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2'","","- C62 H44 Cl4 Dy2 N10 O12 -","- C62 H44 Cl4 Dy2 N10 O12 -","- C124 H88 Cl8 Dy4 N20 O24 -","2","0.5","","Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong","3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence.","ACS omega","2022","7","3","2604","2612","10.1021/acsomega.1c04728","","","0.71073","MoKα","","0.0508","0.0424","","","0.1403","0.1558","","","","","","1.002","","","","has coordinates","272485","2022-02-03","21:26:49",""
"4519315","12.0765","0.0001","11.7333","0.0001","21.6298","0.0002","90","","92.55","","90","","3061.85","0.05","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tb2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2","'Tb2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2'","","- C62 H44 Cl4 N10 O12 Tb2 -","- C62 H44 Cl4 N10 O12 Tb2 -","- C124 H88 Cl8 N20 O24 Tb4 -","2","0.5","","Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong","3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence.","ACS omega","2022","7","3","2604","2612","10.1021/acsomega.1c04728","","","0.71073","MoKα","","0.0459","0.0407","","","0.1375","0.1475","","","","","","0.977","","","","has coordinates","272486","2022-02-03","21:27:21",""
"4519316","12.0936","0.0001","11.7499","0.0002","21.6432","0.0003","90","","92.625","0.001","90","","3072.24","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Gd2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2","'Gd2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2'","","- C62 H44 Cl4 Gd2 N10 O12 -","- C62 H44 Cl4 Gd2 N10 O12 -","- C124 H88 Cl8 Gd4 N20 O24 -","2","0.5","","Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong","3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence.","ACS omega","2022","7","3","2604","2612","10.1021/acsomega.1c04728","","","0.71073","MoKα","","0.0611","0.054","","","0.2129","0.2463","","","","","","1.005","","","","has coordinates","272487","2022-02-03","21:27:41",""
"4519317","29.689","0.005","14.194","0.002","20.253","0.003","90","","108.716","0.002","90","","8083","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H137 Br La N11 O16 -","- C66 H137 Br La N11 O16 -","- C264 H548 Br4 La4 N44 O64 -","4","1","","Zakharova, Lucia Ya; Voloshina, Alexandra D.; Ibatullina, Marina R.; Zhiltsova, Elena P.; Lukashenko, Svetlana S.; Kuznetsova, Darya A.; Kutyreva, Marianna P.; Sapunova, Anastasiia S.; Kufelkina, Anna A.; Kulik, Natalia V.; Kataeva, Olga; Ivshin, Kamil A.; Gubaidullin, Aidar T.; Salnikov, Vadim V.; Nizameev, Irek R.; Kadirov, Marsil K.; Sinyashin, Oleg G.","Self-Assembling Metallocomplexes of the Amphiphilic 1,4-Diazabicyclo[2.2.2]octane Derivative as a Platform for the Development of Nonplatinum Anticancer Drugs.","ACS omega","2022","7","3","3073","3082","10.1021/acsomega.1c06465","","","0.71073","MoKα","","0.0819","0.0471","","","0.1201","0.1381","","","","","","1.021","","","","has coordinates,has disorder","272488","2022-02-03","21:28:10",""
"4519318","5.8282","0.0016","6.931","0.0019","56.791","0.015","90","","92.934","0.003","90","","2291.1","1.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-Cetyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide monohydrate","","- C44 H92 Br2 N4 O -","- C44 H92 Br2 N4 O -","- C88 H184 Br4 N8 O2 -","2","1","","Zakharova, Lucia Ya; Voloshina, Alexandra D.; Ibatullina, Marina R.; Zhiltsova, Elena P.; Lukashenko, Svetlana S.; Kuznetsova, Darya A.; Kutyreva, Marianna P.; Sapunova, Anastasiia S.; Kufelkina, Anna A.; Kulik, Natalia V.; Kataeva, Olga; Ivshin, Kamil A.; Gubaidullin, Aidar T.; Salnikov, Vadim V.; Nizameev, Irek R.; Kadirov, Marsil K.; Sinyashin, Oleg G.","Self-Assembling Metallocomplexes of the Amphiphilic 1,4-Diazabicyclo[2.2.2]octane Derivative as a Platform for the Development of Nonplatinum Anticancer Drugs.","ACS omega","2022","7","3","3073","3082","10.1021/acsomega.1c06465","","","0.71073","MoKα","","0.0835","0.0549","","","0.0891","0.0984","","","","","","0.943","","","","has coordinates","272489","2022-02-03","21:28:36",""
"4519345","18.071","0.003","7.8493","0.0016","21.159","0.003","90","","101.232","0.015","90","","2943.8","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24.94 H34.88 B3 Cl1.88 N2 O8 -","- C24.939 H34.878 B3 Cl1.8774 N2 O8 -","- C99.756 H139.512 B12 Cl7.5096 N8 O32 -","4","1","","Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena","Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids","ACS Omega","2022","7","8","7257","7277","10.1021/acsomega.1c07006","","x-ray","1.54178","CuKα","K-L~3~","0.0534","0.036","","","0.0831","0.0907","","","","","","1.03","","","","has coordinates,has disorder","273252","2022-03-03","21:08:43",""
"4519346","11.62","0.004","10.769","0.003","13.577","0.005","90","","98.985","0.011","90","","1678.1","1","100.01","","100.01","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","0.5","","Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena","Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids","ACS Omega","2022","7","8","7257","7277","10.1021/acsomega.1c07006","","x-ray","0.71073","MoKα","K-L~3~","0.0529","0.0426","","","0.1227","0.132","","","","","","1.054","","","","has coordinates,has disorder","273253","2022-03-03","21:09:10",""
"4519347","10.6564","0.0009","7.937","0.0007","22.4894","0.0014","90","","97.249","0.004","90","","1886.9","0.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C96 H96 O16 -","4","1","","Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena","Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids","ACS Omega","2022","7","8","7257","7277","10.1021/acsomega.1c07006","","","1.54178","CuKα","","0.035","0.0334","","","0.0865","0.0879","","","","","","1.037","","","","has coordinates","273254","2022-03-03","21:09:34",""
"4519348","5.08","0.0011","27.367","0.008","5.5795","0.0014","90","","90","","90","","775.7","0.3","100.01","","100.01","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H14 Cl2 O2 -","- C19 H14 Cl2 O2 -","- C38 H28 Cl4 O4 -","2","0.5","","Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena","Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids","ACS Omega","2022","7","8","7257","7277","10.1021/acsomega.1c07006","","x-ray","0.71073","MoKα","K-L~3~","0.023","0.0226","","","0.0607","0.061","","","","","","1.139","","","","has coordinates","273255","2022-03-03","21:09:56",""
"4519349","5.1098","0.0002","5.1098","0.0002","7.1704","0.0003","90","","90","","120","","162.137","0.011","398","","398","","","","","","","","Layered Double Hydroxide","4","P -3 1 m","-P 3 2","162","Lithium Aluminium Chloride Layered Double Hydroxide","","","- Al2 Cl Li O6 -","- Al2.00012 Cl Li O6.00024 -","- Al2.00012 Cl Li O6.00024 -","1","0.0833333","","Venkataraman, Kavitha; Thomas, Grace S.","Dehydration-Rehydration Studies on Polytypes of Chloride and Nitrate Layered Double Hydroxides of Nordstrandite and Bayerite: a Comparative Study.","ACS omega","2022","7","6","5393","5400","10.1021/acsomega.1c06630","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","7.3596","1.6","","","","","","","has coordinates","273256","2022-03-03","21:10:18",""
"4519350","5.0877","0.0016","8.814","0.003","9.0504","0.001","90","","100.51","0.03","90","","399.04","0.19","453","","453","","","","","","","","Layered Double Hydroxide","4","C 1 2/m 1","-C 2y","12","Lithium Aluminium Nitrate Layered Double Hydroxide","","","- Al2 Li N O9 -","- Al2 Li N O9 -","- Al4 Li2 N2 O18 -","2","0.25","","Venkataraman, Kavitha; Thomas, Grace S.","Dehydration-Rehydration Studies on Polytypes of Chloride and Nitrate Layered Double Hydroxides of Nordstrandite and Bayerite: a Comparative Study.","ACS omega","2022","7","6","5393","5400","10.1021/acsomega.1c06630","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","8.9546","1.8","","","","","","","has coordinates","273257","2022-03-03","21:10:40",""
"4519351","12.6185","0.0008","12.3442","0.0007","17.9746","0.001","90","","103.4","0.001","90","","2723.6","0.3","90","2","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 Br4 N4 -","- C32 H18 Br4 N4 -","- C128 H72 Br16 N16 -","4","1","","Boice, Geneviève N; Patrick, Brian O.; Hicks, Robin G.","Diindolylamine Preparation and Stability Investigations.","ACS omega","2022","7","6","5197","5205","10.1021/acsomega.1c06289","","","0.71073","MoKα","","0.0759","0.0416","","","0.0795","0.0895","","","","","","1.013","","","","has coordinates","273258","2022-03-03","21:11:02",""
"4519352","10.631","0.002","13.873","0.003","8.6997","0.0015","90","","90","","90","","1283.1","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(E)-4-(((2,4-dimethylphenyl)imino)methyl)phenol","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Muhammad, Shabbir; Munawar, Khurram Shahzad; Ali, Saqib; Ahmed, Gulzar; Al-Sehemi, Abdullah G; Alarfaji, Saleh S.; Ibraheem Khan, Muhammad Ehtisham","Shedding Light on the Synthesis, Crystal Structure, Characterization, and Computational Study of Optoelectronic Properties and Bioactivity of Imine derivatives.","ACS omega","2022","7","6","5217","5230","10.1021/acsomega.1c06325","","","0.71073","MoKα","","0.1173","0.0538","","","0.1133","0.1359","","","","","","1.004","","","","has coordinates","273259","2022-03-03","21:11:41",""
"4519353","6.5137","0.0014","15.684","0.003","17.611","0.004","90","","90","","90","","1799.2","0.7","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 F N2 O5 -","- C15 H23 F N2 O5 -","- C60 H92 F4 N8 O20 -","4","1","","Pons, Amandine; Decaens, Jonathan; Najjar, Riham; Otog, Nansalmaa; Arribat, Mathieu; Jolly, Sandrine; Couve-Bonnaire, Samuel; Sebban, Muriel; Coadou, Gael; Oulyadi, Hassan; Speybrouck, David; Iwasa, Seiji; Charette, André B; Poisson, Thomas; Jubault, Philippe","Fluorocyclopropane-Containing Proline Analogue: Synthesis and Conformation of an Item in the Peptide Chemist's Toolbox.","ACS omega","2022","7","6","4868","4878","10.1021/acsomega.1c05337","","x-ray","0.71073","MoKα","","0.1659","0.0553","","","0.1275","0.1603","","","","","","0.869","","","","has coordinates","273260","2022-03-03","21:12:06",""
"4519354","5.6104","0.0007","5.738","0.001","17.8464","0.0017","91.354","0.01","92.008","0.009","92.293","0.012","573.53","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H6 N6 O3 -","- C10 H6 N6 O3 -","- C20 H12 N12 O6 -","2","1","","Shafran, Yuri M.; Hussein, Aqeel A.; Beliaev, Nikolai A.; Shevyrin, Vadim A.; Shityakov, Sergey; Beryozkina, Tetyana V.; Bakulev, Vasiliy A.","Selective Synthesis of Azoloyl <i>NH</i>-1,2,3-Triazoles and Azolyl Diazoketones: Experimental and Computational Insights.","ACS omega","2022","7","6","5008","5031","10.1021/acsomega.1c05898","","x-ray","0.71073","MoKα","","0.1446","0.055","","","0.1109","0.158","","","","","","1.005","","","","has coordinates","273261","2022-03-03","21:12:29",""
"4519355","16.633","0.004","6.8163","0.0008","25.874","0.004","90","","90.625","0.017","90","","2933.3","0.9","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 N6 O2 -","- C11 H18 N6 O2 -","- C88 H144 N48 O16 -","8","1","","Shafran, Yuri M.; Hussein, Aqeel A.; Beliaev, Nikolai A.; Shevyrin, Vadim A.; Shityakov, Sergey; Beryozkina, Tetyana V.; Bakulev, Vasiliy A.","Selective Synthesis of Azoloyl <i>NH</i>-1,2,3-Triazoles and Azolyl Diazoketones: Experimental and Computational Insights.","ACS omega","2022","7","6","5008","5031","10.1021/acsomega.1c05898","","x-ray","0.71073","MoKα","","0.1699","0.07","","","0.1607","0.2229","","","","","","1.002","","","","has coordinates","273262","2022-03-03","21:13:05",""
"4519356","8.7961","0.0001","16.2533","0.0003","14.8259","0.0002","90","","93.4435","0.0005","90","","2115.77","0.05","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O4 -","- C26 H21 N O4 -","- C104 H84 N4 O16 -","4","1","","Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian","Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents.","ACS omega","2022","7","7","5713","5729","10.1021/acsomega.1c05460","","","1.54178","CuKα","","0.0472","0.0422","","","0.113","0.1198","","","","","","1.025","","","","has coordinates","273263","2022-03-03","21:13:27",""
"4519357","10.0432","0.0003","9.4172","0.0003","22.1188","0.0006","90","","98.0439","0.0009","90","","2071.39","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 N O -","- C29 H19 N O -","- C116 H76 N4 O4 -","4","1","","Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian","Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents.","ACS omega","2022","7","7","5713","5729","10.1021/acsomega.1c05460","","","1.54178","CuKα","","0.0438","0.0391","","","0.1002","0.1067","","","","","","1.039","","","","has coordinates","273264","2022-03-03","21:13:51",""
"4519358","6.264","0.0002","17.8352","0.0005","15.8767","0.0004","90","","97.605","0.0011","90","","1758.14","0.09","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N O -","- C24 H17 N O -","- C96 H68 N4 O4 -","4","1","","Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian","Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents.","ACS omega","2022","7","7","5713","5729","10.1021/acsomega.1c05460","","","0.71073","MoKα","","0.0594","0.0493","","","0.127","0.1359","","","","","","1.022","","","","has coordinates","273265","2022-03-03","21:14:14",""
"4519359","14.8518","0.0004","15.7023","0.0005","25.8545","0.0007","90","","90","","90","","6029.5","0.3","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32.25 H30.5 Cl0.5 N2 O3 -","- C32.25 H30.5 Cl0.5 N2 O3 -","- C258 H244 Cl4 N16 O24 -","8","1","","Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian","Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents.","ACS omega","2022","7","7","5713","5729","10.1021/acsomega.1c05460","","","0.71073","MoKα","","0.0823","0.0664","","","0.186","0.1995","","","","","","1.044","","","","has coordinates","273266","2022-03-03","21:14:48",""
"4519360","7.1468","0.0002","17.7533","0.0006","8.5534","0.0002","90","","103.318","0.001","90","","1056.06","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Co N2 O5 -","- C8 H10 Co N2 O5 -","- C32 H40 Co4 N8 O20 -","4","1","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71073","MoKα","","0.0389","0.0281","","","0.0629","0.0693","","","","","","1.063","","","","has coordinates","273267","2022-03-03","21:15:10",""
"4519361","12.1608","0.0005","7.5544","0.0003","8.6393","0.0004","90","","90.528","0.001","90","","793.64","0.06","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Co N2 O4 -","- C6 H6 Co N2 O4 -","- C24 H24 Co4 N8 O16 -","4","0.5","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71073","MoKα","","0.0306","0.0298","","","0.0817","0.0822","","","","","","1.224","","","","has coordinates","273268","2022-03-03","21:15:35",""
"4519362","10.316","0.004","7.114","0.003","9.458","0.004","90","","90","","90","","694.1","0.5","296","2","296","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C8 H16 Co N2 O8 -","- C8 H16 Co N2 O8 -","- C16 H32 Co2 N4 O16 -","2","0.25","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71076","MoKα","","0.0422","0.0357","","","0.0793","0.083","","","","","","1.196","","","","has coordinates","273269","2022-03-03","21:15:57",""
"4519363","7.4075","0.0003","14.8143","0.0006","7.7787","0.0003","90","","99.741","0.001","90","","841.3","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Co O8 -","- C4 H12 Co O8 -","- C16 H48 Co4 O32 -","4","1","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71073","MoKα","","0.0283","0.0225","","","0.0557","0.0596","","","","","","1.06","","","","has coordinates","273270","2022-03-03","21:16:19",""
"4519364","12.7414","0.0005","6.7729","0.0002","13.4227","0.0004","90","","107.659","0.001","90","","1103.75","0.06","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Co N2 O6 -","- C8 H12 Co N2 O6 -","- C32 H48 Co4 N8 O24 -","4","0.5","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71073","MoKα","","0.0472","0.0294","","","0.0676","0.0772","","","","","","1.066","","","","has coordinates","273271","2022-03-03","21:16:42",""
"4519365","7.7368","0.0004","9.0843","0.0005","11.321","0.0006","90.118","0.001","99.312","0.001","97.756","0.001","777.78","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Co2 N2 O10 -","- C12 H16 Co2 N2 O10 -","- C24 H32 Co4 N4 O20 -","2","1","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71073","MoKα","","0.0449","0.0309","","","0.0664","0.0737","","","","","","1.054","","","","has coordinates","273272","2022-03-03","21:17:05",""
"4519394","8.5453","0.0003","22.0815","0.0007","24.6638","0.0008","90","","97.013","0.001","90","","4619.1","0.3","120","2","120","2","","","","","","","synthesized by the authors","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H40 B Cl2 F4 N -","- C60 H40 B Cl2 F4 N -","- C240 H160 B4 Cl8 F16 N4 -","4","1","","Ulč, Jan; Asanuma, Yuya; Moss, Robert; Manca, Gabriele; Císařová, Ivana; Kotora, Martin","Computational, Mechanistic, and Experimental Insights into Regioselective Catalytic C-C Bond Activation in Linear 1-Aza-[3]triphenylene.","ACS omega","2022","7","10","8665","8674","10.1021/acsomega.1c06664","","","1.54178","CuKα","","0.0436","0.0431","","","0.1074","0.1078","","","","","","1.035","","","","has coordinates","274250","2022-04-03","20:08:28",""
"4519395","11.0371","0.0006","13.4132","0.0007","15.606","0.0009","70.893","0.002","73.798","0.002","74.546","0.002","2057","0.2","120","2","120","2","","","","","","","synthesized by the authors","4","P -1","-P 1","2","","","","- C51 H45 N Si2 -","- C51 H45 N Si2 -","- C102 H90 N2 Si4 -","2","1","","Ulč, Jan; Asanuma, Yuya; Moss, Robert; Manca, Gabriele; Císařová, Ivana; Kotora, Martin","Computational, Mechanistic, and Experimental Insights into Regioselective Catalytic C-C Bond Activation in Linear 1-Aza-[3]triphenylene.","ACS omega","2022","7","10","8665","8674","10.1021/acsomega.1c06664","","","1.54178","CuKα","","0.0414","0.036","","","0.0918","0.0952","","","","","","1.019","","","","has coordinates","274251","2022-04-03","20:08:54",""
"4519396","8.2706","0.0003","34.0842","0.0013","15.5666","0.0005","90","","94.273","0.002","90","","4376","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H47 Cl2 N Si2 -","- C52 H47 Cl2 N Si2 -","- C208 H188 Cl8 N4 Si8 -","4","1","","Ulč, Jan; Asanuma, Yuya; Moss, Robert; Manca, Gabriele; Císařová, Ivana; Kotora, Martin","Computational, Mechanistic, and Experimental Insights into Regioselective Catalytic C-C Bond Activation in Linear 1-Aza-[3]triphenylene.","ACS omega","2022","7","10","8665","8674","10.1021/acsomega.1c06664","","","1.54178","CuKα","","0.0692","0.0591","","","0.1406","0.1454","","","","","","1.12","","","","has coordinates","274252","2022-04-03","20:09:20",""
"4519397","15.5106","0.0007","4.9274","0.0002","18.1757","0.0009","90","","99.752","0.007","90","","1369.04","0.11","138","2","138","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Phenylbenzo[4,5]pentaleno[1,2-c]thiophene","","- C20 H12 S -","- C20 H12 S -","- C80 H48 S4 -","4","1","","Gazdag, Tamás; Mayer, Péter J; Kalapos, Péter Pál; Holczbauer, Tamás; El Bakouri, Ouissam; London, Gábor","Unsymmetrical Thienopentalenes: Synthesis, Optoelectronic Properties, and (Anti)aromaticity Analysis.","ACS omega","2022","7","10","8336","8349","10.1021/acsomega.1c05618","","","0.71075","MoKα","","0.0639","0.058","","","0.1243","0.1272","","","","","","1.168","","","","has coordinates,has disorder","274253","2022-04-03","20:09:45",""
"4519398","44.87","0.02","8.909","0.004","14.807","0.007","90","","90.851","0.009","90","","5918","5","210","2","210","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 Co2 N2 O12 S -","- C27 H20 Co2 N2 O12 S -","- C216 H160 Co16 N16 O96 S8 -","8","1","","Rothman, Jeffrey H.","Synthesis of Endocyclic Cycloalkyne Amino Acids.","ACS omega","2022","7","10","9053","9060","10.1021/acsomega.2c00270","","","0.71073","MoKα","","0.0824","0.0567","","","0.1403","0.1608","","","","","","1.053","","","","has coordinates","274254","2022-04-03","20:10:13",""
"4519399","9.2143","0.0002","12.7406","0.0003","12.62","0.0003","85.167","0.001","73.242","0.001","71.786","0.001","1347.51","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H42 F4 N4 -","- C52 H42 F4 N4 -","- C52 H42 F4 N4 -","1","0.5","","Chou, Pallas; Kim, Lauren; Marzouk, Sammer M.; Sun, Rui; Hartnett, Alaina C.; Dogutan, Dilek K.; Zheng, Shao-Liang; Nocera, Daniel G.","Synthesis, Characterization, and Hydrogen Evolution Activity of Metallo-<i>meso</i>-(4-fluoro-2,6-dimethylphenyl)porphyrin Derivatives.","ACS omega","2022","7","10","8988","8994","10.1021/acsomega.2c00109","","","1.54178","CuKα","","0.0675","0.0528","","","0.1536","0.1666","","","","","","1.086","","","","has coordinates,has disorder","274255","2022-04-03","20:10:33",""
"4519400","9.5087","0.0001","7.8793","0.0001","18.5965","0.0002","90","","91.407","0.001","90","","1392.87","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H39 N O14 -","- C23 H39 N O14 -","- C46 H78 N2 O28 -","2","1","","Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua","Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations.","ACS omega","2022","7","10","8906","8918","10.1021/acsomega.1c07314","","","1.54184","CuKα","","0.0476","0.0452","","","0.1239","0.1282","","","","","","1.064","","","","has coordinates,has disorder","274257","2022-04-03","20:10:54",""
"4519401","9.41201","0.00005","7.9414","0.00005","19.98256","0.00011","90","","97.5366","0.0005","90","","1480.68","0.015","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H43 N O14 -","- C25 H43 N O14 -","- C50 H86 N2 O28 -","2","1","","Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua","Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations.","ACS omega","2022","7","10","8906","8918","10.1021/acsomega.1c07314","","","1.54184","CuKα","","0.0328","0.0326","","","0.0913","0.0916","","","","","","1.038","","","","has coordinates","274258","2022-04-03","20:11:16",""
"4519402","9.41164","0.00019","7.95651","0.00014","20.651","0.0004","90","","100.299","0.0017","90","","1521.51","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H45 N O14 -","- C26 H45 N O14 -","- C52 H90 N2 O28 -","2","1","","Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua","Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations.","ACS omega","2022","7","10","8906","8918","10.1021/acsomega.1c07314","","x-ray","1.54184","CuKα","","0.0558","0.0541","","","0.1541","0.1574","","","","","","1.132","","","","has coordinates,has disorder","274259","2022-04-03","20:11:38",""
"4519403","14.3012","0.0012","8.9089","0.0008","16.767","0.0014","90","","96.005","0.001","90","","2124.5","0.3","296.15","","296.15","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C49 H36 Au2 P2 S4 -","- C49 H36 Au2 P2 S4 -","- C98 H72 Au4 P4 S8 -","2","1","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","","0.71073","MoKα","","0.013","0.0125","","","0.0272","0.0273","","","","","","0.735","","","","has coordinates","274260","2022-04-03","20:12:02",""
"4519404","16.0501","0.0002","17.0934","0.0002","20.701","0.0003","91.582","0.001","108.552","0.001","96.765","0.001","5333.93","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H87 Au4 Cl8 P4 S8 -","- C108 H87 Au4 Cl8 P4 S8 -","- C216 H174 Au8 Cl16 P8 S16 -","2","1","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","x-ray","1.54184","CuKα","","0.0728","0.0675","","","0.1912","0.1961","","","","","","1.04","","","","has coordinates","274261","2022-04-03","20:12:29",""
"4519405","18.48","0.0004","16.1182","0.0003","33.0678","0.0006","90","","90","","90","","9849.7","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C111 H98 Au4 O3 P4 S8 -","- C111 H98 Au4 O3 P4 S8 -","- C444 H392 Au16 O12 P16 S32 -","4","0.5","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","x-ray","1.54184","CuKα","","0.0354","0.0302","","","0.0755","0.0779","","","","","","1.06","","","","has coordinates","274262","2022-04-03","20:12:55",""
"4519406","12.3768","0.0001","16.5846","0.0002","21.3999","0.0002","90","","101.368","0.001","90","","4306.46","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H38 Au2 P2 S4 -","- C50 H38 Au2 P2 S4 -","- C200 H152 Au8 P8 S16 -","4","1","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","x-ray","1.54184","CuKα","","0.0289","0.0255","","","0.0619","0.0633","","","","","","1.038","","","","has coordinates","274263","2022-04-03","20:13:20",""
"4519407","21.019","0.0018","7.8788","0.0007","46.469","0.004","90","","97.275","0.001","90","","7633.5","1.1","73","","73","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 S4 -","- C34 H20 S4 -","- C408 H240 S48 -","12","3","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","","0.71073","MoKα","","0.0811","0.0473","","","0.0949","0.1048","","","","","","1.01","","","","has coordinates","274264","2022-04-03","20:13:46",""
"4519408","10.2644","0.001","15.054","0.0009","10.2555","0.001","90","","119.67","0.007","90","","1376.9","0.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 N6 Si2 -","- C24.004 H48.008 N6.001 Si1.9966 -","- C48.008 H96.016 N12.002 Si3.9932 -","2","0.5","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0678","0.0495","","","0.1349","0.1452","","","","","","1.049","","","","has coordinates,has disorder","274265","2022-04-03","20:15:21",""
"4519409","10.0211","0.0005","17.9266","0.0008","15.5703","0.0008","90","","103.901","0.004","90","","2715.2","0.2","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 N6 Si2 -","- C24 H48 N6 Si2 -","- C96 H192 N24 Si8 -","4","1","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0672","0.0453","","","0.1176","0.1313","","","","","","1.086","","","","has coordinates,has disorder","274265","2022-04-03","20:15:21",""
"4519410","10.2419","0.0007","11.9781","0.0008","13.8119","0.0008","72.61","0.005","89.884","0.005","68.752","0.005","1496.25","0.18","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H46 N4 O9 Si2 -","- C22 H46 N4 O9 Si2 -","- C44 H92 N8 O18 Si4 -","2","1","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0447","0.0371","","","0.099","0.1035","","","","","","1.054","","","","has coordinates,has disorder","274265","2022-04-03","20:15:21",""
"4519411","18.6575","0.0005","6.3147","0.0001","16.0768","0.0004","90","","96.139","0.002","90","","1883.25","0.08","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 N2 O4 Si2 -","- C14 H28 N2 O4 Si2 -","- C56 H112 N8 O16 Si8 -","4","1","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0475","0.0374","","","0.0914","0.0963","","","","","","1.103","","","","has coordinates,has disorder","274265","2022-04-03","20:15:21",""
"4519412","9.773","0.0003","11.6396","0.0003","16.0521","0.0005","86.509","0.002","75.909","0.002","86.201","0.002","1765.26","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Cl6 N4 O8 Si2 -","- C23.999 H39.999 Cl5.997 N4 O8 Si2 -","- C47.998 H79.998 Cl11.994 N8 O16 Si4 -","2","1","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0449","0.0368","","","0.0909","0.0949","","","","","","1.063","","","","has coordinates,has disorder","274265","2022-04-03","20:15:22",""
"4519413","7.6684","0.0009","8.5044","0.0009","8.923","0.001","67.142","0.008","66.196","0.008","88.7","0.009","484.36","0.11","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 N2 O4 Si2 -","- C16 H32 N2 O4 Si2 -","- C16 H32 N2 O4 Si2 -","1","0.5","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0327","0.0291","","","0.0773","0.0801","","","","","","1.064","","","","has coordinates","274265","2022-04-03","20:15:22",""
"4519414","9.3555","0.0006","19.1906","0.0008","10.8119","0.0006","90","","91.602","0.005","90","","1940.38","0.18","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Cl6 N4 O8 Si2 -","- C28 H48 Cl6 N4 O8 Si2 -","- C56 H96 Cl12 N8 O16 Si4 -","2","0.5","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0455","0.0336","","","0.0826","0.0893","","","","","","1.072","","","","has coordinates,has disorder","274265","2022-04-03","20:15:22",""
"4519415","26.638","0.003","13.754","0.002","7.5085","0.0009","90","","90","","90","","2751","0.6","296","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","(E)-2-methoxy-6-(((4-(trifluoromethyl)phenyl)imino)methyl)phenol","","- C15 H12 F3 N O2 -","- C15 H12 F2.994 N O2 -","- C120 H96 F23.952 N8 O16 -","8","1","","Ashfaq, Muhammad; Khalid, Muhammad; Tahir, Muhammad Nawaz; Ali, Akbar; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","Synthesis of Crystalline Fluoro-Functionalized Imines, Single Crystal Investigation, Hirshfeld Surface Analysis, and Theoretical Exploration.","ACS omega","2022","7","11","9867","9878","10.1021/acsomega.2c00288","","","0.71073","MoKα","","0.0572","0.0387","","","0.076","0.0842","","","","","","1.016","","","","has coordinates,has disorder","274266","2022-04-03","20:16:22",""
"4519416","7.1922","0.0018","7.5334","0.0016","12.289","0.003","90","","100.816","0.011","90","","654","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-2-methoxy-6-(((4-(trifluoromethyl)phenyl)imino)methyl)phenol","","- C17 H12 F N O -","- C17 H12 F N O -","- C34 H24 F2 N2 O2 -","2","1","","Ashfaq, Muhammad; Khalid, Muhammad; Tahir, Muhammad Nawaz; Ali, Akbar; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","Synthesis of Crystalline Fluoro-Functionalized Imines, Single Crystal Investigation, Hirshfeld Surface Analysis, and Theoretical Exploration.","ACS omega","2022","7","11","9867","9878","10.1021/acsomega.2c00288","","","0.71073","MoKα","","0.0802","0.0449","","","0.0979","0.1139","","","","","","1.001","","","","has coordinates","274267","2022-04-03","20:16:46",""
"4519417","7.6501","0.0006","12.0632","0.001","13.6914","0.0016","90","","90","","90","","1263.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Tatlidil, Digdem; Raza, Muhammad Asam; Dege, Necmi; Agar, Aysen Alaman; Farwa, Umme; Rehman, Shafiq Ur","Therapeutical Potential of Imines; Synthesis, Single Crystal Structure, Computational, Molecular Modeling, and ADMET Evaluation","ACS Omega","2022","7","12","10568","10579","10.1021/acsomega.2c00102","","","0.71073","MoKα","","0.0635","0.0395","","","0.0779","0.0849","","","","","","0.968","","","","has coordinates","274268","2022-04-03","20:17:07",""
"4519418","5.731","0.0002","12.9388","0.0008","18.826","0.001","90","","90","","90","","1395.99","0.12","296","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Tatlidil, Digdem; Raza, Muhammad Asam; Dege, Necmi; Agar, Aysen Alaman; Farwa, Umme; Rehman, Shafiq Ur","Therapeutical Potential of Imines; Synthesis, Single Crystal Structure, Computational, Molecular Modeling, and ADMET Evaluation","ACS Omega","2022","7","12","10568","10579","10.1021/acsomega.2c00102","","","0.71073","MoKα","","0.0579","0.0369","","","0.0867","0.0959","","","","","","0.947","","","","has coordinates","274269","2022-04-03","20:17:42",""
"4519419","8.6522","0.0008","32.232","0.003","14.3606","0.0013","90","","97.169","0.002","90","","3973.5","0.6","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 O5 -","- C24 H26 O5 -","- C192 H208 O40 -","8","2","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.1212","0.0595","","","0.1271","0.1415","","","","","","1.013","","","","has coordinates","274270","2022-04-03","20:18:04",""
"4519420","8.8899","0.0003","9.4022","0.0003","20.6943","0.0007","90","","100.172","0.001","90","","1702.54","0.1","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C88 H88 O12 -","4","1","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.0513","0.0403","","","0.1071","0.1129","","","","","","1.037","","","","has coordinates","274271","2022-04-03","20:18:37",""
"4519421","21.798","0.003","8.9774","0.0016","9.6932","0.0018","90","","90","","90","","1896.9","0.6","150","2","150","2","","","","","","","","4","C m c 21","C 2c -2","36","","(2E,6E)-2,6-bis[4-(dimethylamino)benzylidene]cyclohexanone","","- C24 H28 N2 O -","- C24 H28 N2 O -","- C96 H112 N8 O4 -","4","0.5","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.0713","0.0457","","","0.0995","0.1087","","","","","","1.032","","","","has coordinates","274272","2022-04-03","20:19:03",""
"4519422","9.2176","0.0011","22.382","0.003","18.333","0.002","90","","103.619","0.002","90","","3675.9","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2E,6E)-2,6-bis[4-(methylthio)benzylidene]cyclohexanone","","- C22 H22 O S2 -","- C22 H22 O S2 -","- C176 H176 O8 S16 -","8","2","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.1898","0.1075","","","0.296","0.324","","","","","","1.062","","","","has coordinates","274273","2022-04-03","20:19:31",""
"4519423","9.4669","0.0003","18.2488","0.0007","9.3371","0.0003","90","","115.269","0.001","90","","1458.72","0.09","170.15","","170.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O -","- C20 H18 O -","- C80 H72 O4 -","4","1","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.0483","0.0403","","","0.1082","0.1122","","","","","","1.061","","","","has coordinates","274274","2022-04-03","20:19:52",""