# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T12:50:29+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 Sustainable Chemistry & Engineering') 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
"4517008","19.0828","0.0012","11.0641","0.0005","21.971","0.0011","90","","99.81","0.005","90","","4571","0.4","173","","173","","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C22 H28 Na O9 S -","- C22 H28 Na O9 S -","- C176 H224 Na8 O72 S8 -","8","2","","Miles-Barrett, Daniel M.; Montgomery, James R. D.; Lancefield, Christopher S.; Cordes, David B.; Slawin, Alexandra M. Z.; Lebl, Tomas; Carr, Reuben; Westwood, Nicholas J.","Use of Bisulfite Processing To Generate High-β-O-4 Content Water-Soluble Lignosulfonates","ACS Sustainable Chemistry & Engineering","2017","5","2","1831","","10.1021/acssuschemeng.6b02566","","","1.54187","CuKα","","0.0699","0.0631","","","0.1738","0.181","","","","","","1.04","","","","has coordinates","289785","2024-02-12","08:29:28",""
"4517009","7.8249","0.0007","22.011","0.002","12.217","0.0011","90","","99.059","0.002","90","","2077.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Cl2 F N4 O8 -","- C20 H15 Cl2 F N4 O8 -","- C80 H60 Cl8 F4 N16 O32 -","4","1","","Chen, Liang; Huang, Rong; Du, Xuan-Xuan; Yan, Sheng-Jiao; Lin, Jun","One-Pot Synthesis of Highly Functionalized Bicyclic Imidazopyridinium Derivatives in Ethanol","ACS Sustainable Chemistry & Engineering","2017","5","2","1899","","10.1021/acssuschemeng.6b02622","","","0.71073","MoKα","","0.0509","0.0429","","","0.1057","0.111","","","","","","0.982","","","","has coordinates","239691","2020-10-21","18:00:00",""
"4517010","7.8228","0.0004","19.98","0.001","17.1179","0.0007","90","","91.087","0.001","90","","2675","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N O4 Zn -","- C28 H16 N O4 Zn -","- C112 H64 N4 O16 Zn4 -","4","1","","Zhao, Hongmei; Xia, Qiansu; Xing, Hongzhu; Chen, Dashu; Wang, Hong","Construction of Pillared-Layer MOF as Efficient Visible-Light Photocatalysts for Aqueous Cr(VI) Reduction and Dye Degradation","ACS Sustainable Chemistry & Engineering","2017","5","5","4449","","10.1021/acssuschemeng.7b00641","","","0.71073","MoKα","","0.0483","0.0313","","","0.0675","0.0762","","","","","","1.069","","","","has coordinates","239692","2020-10-21","18:00:00",""
"4517011","16.376","0.005","5.782","0.002","19.03","0.006","90","","100.86","0.03","90","","1769.6","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O2 S -","- C21 H18 N2 O2 S -","- C84 H72 N8 O8 S4 -","4","1","","Pigulski, Bartłomiej; Cichos, Jakub; Szafert, Sławomir","Polyynes as Precursors of Photoluminescent Solvent Polarity Probes","ACS Sustainable Chemistry & Engineering","2017","5","8","7077","","10.1021/acssuschemeng.7b01274","","","1.54184","CuKα","","0.2546","0.086","","","0.189","0.2242","","","","","","0.61","","","","has coordinates,has disorder","239693","2020-10-21","18:00:00",""
"4517012","6.7039","0.0012","10.6697","0.0018","22.602","0.004","90","","90","","90","","1616.7","0.5","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H20 N2 O5 S -","- C16 H20 N2 O5 S -","- C64 H80 N8 O20 S4 -","4","0.5","","Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Angamuthu, Raja","Benzimidazolines Convert Sulfur Dioxide to Bisulfate at Room Temperature and Atmospheric Pressure Utilizing Aerial Oxygen","ACS Sustainable Chemistry & Engineering","2017","5","7","6322","","10.1021/acssuschemeng.7b01495","","","0.71073","MoKα","","0.1008","0.0648","","","0.1552","0.1754","","","","","","1.024","","","","has coordinates,has disorder","239694","2020-10-21","18:00:00",""
"4517013","10.8743","0.0008","12.9713","0.0009","13.3718","0.001","64.0149","0.0019","71.014","0.002","70.772","0.002","1564","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N5 O5 S -","- C15 H16 N2 O5 S -","- C60 H64 N8 O20 S4 -","4","2","","Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Angamuthu, Raja","Benzimidazolines Convert Sulfur Dioxide to Bisulfate at Room Temperature and Atmospheric Pressure Utilizing Aerial Oxygen","ACS Sustainable Chemistry & Engineering","2017","5","7","6322","","10.1021/acssuschemeng.7b01495","","","0.71073","MoKα","","0.0619","0.0439","","","0.1279","0.1427","","","","","","1.02","","","","has coordinates","239695","2020-10-21","18:00:00",""
"4517014","7.907","0.005","8.536","0.005","11.911","0.005","83.119","0.005","78.561","0.005","83.567","0.005","779.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Br N3 O4 S -","- C14 H14 Br N3 O4 S -","- C28 H28 Br2 N6 O8 S2 -","2","1","","Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Angamuthu, Raja","Benzimidazolines Convert Sulfur Dioxide to Bisulfate at Room Temperature and Atmospheric Pressure Utilizing Aerial Oxygen","ACS Sustainable Chemistry & Engineering","2017","5","7","6322","","10.1021/acssuschemeng.7b01495","","","0.71073","MoKα","","0.0495","0.0428","","","0.1456","0.1523","","","","","","1.249","","","","has coordinates","239696","2020-10-21","18:00:00",""
"4517015","17.516","0.005","19.233","0.006","23.482","0.007","90","","90","","90","","7911","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H34 Fe I2 N10 -","- C36 H34 Fe I2 N10 -","- C288 H272 Fe8 I16 N80 -","8","1","","Chen, Fei; Liu, Ning; Dai, Bin","Iron(II) Bis-CNN Pincer Complex-Catalyzed Cyclic Carbonate Synthesis at Room Temperature","ACS Sustainable Chemistry & Engineering","2017","5","10","9065","","10.1021/acssuschemeng.7b01990","","","0.71073","MoKα","","0.1288","0.0857","","","0.2502","0.2816","","","","","","0.992","","","","has coordinates","239697","2020-10-21","18:00:00",""
"4517016","12.549","0.007","7.632","0.007","16.158","0.01","90","","109.74","0.05","90","","1456.6","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N2 O4 Zn -","- C13 H9 N2 O4 Zn -","- C52 H36 N8 O16 Zn4 -","4","1","","Senthilkumar, S.; Goswami, Ranadip; Obasi, Nnamdi Lawrence; Neogi, Subhadip","Construction of Pillar-Layer Metal‒Organic Frameworks for CO2 Adsorption under Humid Climate: High Selectivity and Sensitive Detection of Picric Acid in Water","ACS Sustainable Chemistry & Engineering","2017","5","12","11307","","10.1021/acssuschemeng.7b02087","","","0.71073","MoKα","","0.0792","0.0601","","","0.1164","0.1493","","","","","","1.019","","","","has coordinates","239698","2020-10-21","18:00:00",""
"4517017","14.702","0.004","7.736","0.002","15.973","0.005","90","","107.124","0.007","90","","1736.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O4 Zn -","- C13 H9 N3 O4 Zn -","- C52 H36 N12 O16 Zn4 -","4","1","","Senthilkumar, S.; Goswami, Ranadip; Obasi, Nnamdi Lawrence; Neogi, Subhadip","Construction of Pillar-Layer Metal‒Organic Frameworks for CO2 Adsorption under Humid Climate: High Selectivity and Sensitive Detection of Picric Acid in Water","ACS Sustainable Chemistry & Engineering","2017","5","12","11307","","10.1021/acssuschemeng.7b02087","","","0.71073","MoKα","","0.0897","0.0567","","","0.1133","0.1426","","","","","","0.935","","","","has coordinates","239698","2020-10-21","18:00:00",""
"4517018","35.331","0.002","7.6491","0.0004","16.0546","0.0008","90","","108.658","0.002","90","","4110.7","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 N2 O4 Zn -","- C14 H10 N2 O4 Zn -","- C112 H80 N16 O32 Zn8 -","8","1","","Senthilkumar, S.; Goswami, Ranadip; Obasi, Nnamdi Lawrence; Neogi, Subhadip","Construction of Pillar-Layer Metal‒Organic Frameworks for CO2 Adsorption under Humid Climate: High Selectivity and Sensitive Detection of Picric Acid in Water","ACS Sustainable Chemistry & Engineering","2017","5","12","11307","","10.1021/acssuschemeng.7b02087","","","0.71073","MoKα","","0.0519","0.0354","","","0.0814","0.086","","","","","","0.959","","","","has coordinates","239698","2020-10-21","18:00:00",""
"4517019","5.535","0.002","19.583","0.009","11.673","0.005","90","","97.599","0.006","90","","1254.1","0.9","150","2","150","2","","","101.3","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 N5 O7 -","- C11 H7 N5 O7 -","- C44 H28 N20 O28 -","4","1","","Senthilkumar, S.; Goswami, Ranadip; Obasi, Nnamdi Lawrence; Neogi, Subhadip","Construction of Pillar-Layer Metal‒Organic Frameworks for CO2 Adsorption under Humid Climate: High Selectivity and Sensitive Detection of Picric Acid in Water","ACS Sustainable Chemistry & Engineering","2017","5","12","11307","","10.1021/acssuschemeng.7b02087","","x-ray","0.71073","MoKα","","0.1075","0.0755","","","0.116","0.1652","","","","","","0.995","","","","has coordinates,has disorder","239698","2020-10-21","18:00:00",""
"4517020","11.2185","0.0003","13.1576","0.0004","13.44","0.0005","111.204","0.003","93.969","0.003","112.787","0.003","1653.87","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H36 N2 O7 -","- C38 H36 N2 O7 -","- C76 H72 N4 O14 -","2","1","","García-Montero, Angel; Rodriguez, Antonio M.; Juan, Alberto; Velders, Aldrik H.; Denisi, Antonio; Jiménez-Osés, Gonzalo; Gómez-Bengoa, Enrique; Cativiela, Carlos; Gómez, Maria Victoria; Urriolabeitia, Esteban P.","Metal-Free [2 + 2]-Photocycloaddition of (Z)-4-Aryliden-5(4H)-Oxazolones as Straightforward Synthesis of 1,3-Diaminotruxillic Acid Precursors: Synthetic Scope and Mechanistic Studies","ACS Sustainable Chemistry & Engineering","2017","5","9","8370","","10.1021/acssuschemeng.7b02140","","","0.71073","MoKα","","0.0421","0.0351","","","0.0802","0.0847","","","","","","1.021","","","","has coordinates","239699","2020-10-21","18:00:00",""
"4517021","7.5802","0.0004","9.6279","0.0006","10.5678","0.0009","69.46","0.007","73.023","0.006","68.198","0.005","658.87","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 N2 O4 -","- C34 H26 N2 O4 -","- C34 H26 N2 O4 -","1","0.5","","García-Montero, Angel; Rodriguez, Antonio M.; Juan, Alberto; Velders, Aldrik H.; Denisi, Antonio; Jiménez-Osés, Gonzalo; Gómez-Bengoa, Enrique; Cativiela, Carlos; Gómez, Maria Victoria; Urriolabeitia, Esteban P.","Metal-Free [2 + 2]-Photocycloaddition of (Z)-4-Aryliden-5(4H)-Oxazolones as Straightforward Synthesis of 1,3-Diaminotruxillic Acid Precursors: Synthetic Scope and Mechanistic Studies","ACS Sustainable Chemistry & Engineering","2017","5","9","8370","","10.1021/acssuschemeng.7b02140","","","0.71073","MoKα","","0.0479","0.0382","","","0.0911","0.0966","","","","","","1.025","","","","has coordinates","239699","2020-10-21","18:00:00",""
"4517022","13.9228","0.0005","17.8301","0.0006","16.472","0.0007","90","","111.643","0.005","90","","3800.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Cl4 N2 O8 -","- C38 H34 Cl4 N2 O8 -","- C152 H136 Cl16 N8 O32 -","4","1","","García-Montero, Angel; Rodriguez, Antonio M.; Juan, Alberto; Velders, Aldrik H.; Denisi, Antonio; Jiménez-Osés, Gonzalo; Gómez-Bengoa, Enrique; Cativiela, Carlos; Gómez, Maria Victoria; Urriolabeitia, Esteban P.","Metal-Free [2 + 2]-Photocycloaddition of (Z)-4-Aryliden-5(4H)-Oxazolones as Straightforward Synthesis of 1,3-Diaminotruxillic Acid Precursors: Synthetic Scope and Mechanistic Studies","ACS Sustainable Chemistry & Engineering","2017","5","9","8370","","10.1021/acssuschemeng.7b02140","","","0.71073","MoKα","","0.1056","0.063","","","0.1514","0.178","","","","","","1.043","","","","has coordinates","239699","2020-10-21","18:00:00",""
"4517023","12.4183","0.0008","13.3678","0.0005","8.9785","0.0004","90","","93.613","0.004","90","","1487.52","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","García-Montero, Angel; Rodriguez, Antonio M.; Juan, Alberto; Velders, Aldrik H.; Denisi, Antonio; Jiménez-Osés, Gonzalo; Gómez-Bengoa, Enrique; Cativiela, Carlos; Gómez, Maria Victoria; Urriolabeitia, Esteban P.","Metal-Free [2 + 2]-Photocycloaddition of (Z)-4-Aryliden-5(4H)-Oxazolones as Straightforward Synthesis of 1,3-Diaminotruxillic Acid Precursors: Synthetic Scope and Mechanistic Studies","ACS Sustainable Chemistry & Engineering","2017","5","9","8370","","10.1021/acssuschemeng.7b02140","","","0.71073","MoKα","","0.1019","0.0632","","","0.1384","0.1596","","","","","","1.044","","","","has coordinates","239699","2020-10-21","18:00:00",""
"4517024","13.96","0.003","19.71","0.004","15.38","0.003","90","","116.32","0.003","90","","3793.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 F3 N3 O3 -","- C32 H34 F3 N3 O3 -","- C128 H136 F12 N12 O12 -","4","1","","Wang, Bao-Qu; Luo, Qin; Xiao, Qiang; Lin, Jun; Yan, Sheng-Jiao","Synthesis of Quinone Methide Substituted Neonicotinoid Derivatives via 1,6-Conjugate Addition of N-Benzyl Nitro Ketene Aminals with para-Quinone Methides Accompanying Oxidation","ACS Sustainable Chemistry & Engineering","2017","5","9","8382","","10.1021/acssuschemeng.7b02166","","","0.71073","MoKα","","0.1856","0.1233","","","0.4162","0.4529","","","","","","1.002","","","","has coordinates","258458","2020-10-21","18:00:00",""