# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-07-01T16:21:41+02:00
# 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 'Organic Process Research & Development') AND volume = 20 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
"1542332","8.4621","0.0004","10.291","0.0006","8.8558","0.0006","90","","105.314","0.006","90","","743.81","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 O4 P -","- C16 H17 O4 P -","- C32 H34 O8 P2 -","2","1","","Bigler, Raphael; Mezzetti, Antonio","Highly Enantioselective Transfer Hydrogenation of Polar Double Bonds by Macrocyclic Iron(II)/(NH)2P2Catalysts","Organic Process Research & Development","2016","20","2","253","","10.1021/acs.oprd.5b00391","","x-ray","0.71073","MoKα","","0.0477","0.0413","","","0.0878","0.0927","","","","","","1.03","","","","has coordinates","177428","2020-10-21","18:00:00",""
"1542333","8.4358","0.0004","8.6021","0.0004","9.8323","0.0004","104.212","0.003","98.226","0.003","96.026","0.003","677.2","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H32 O6 P2 -","- C32 H32 O6 P2 -","- C32 H32 O6 P2 -","1","1","","Bigler, Raphael; Mezzetti, Antonio","Highly Enantioselective Transfer Hydrogenation of Polar Double Bonds by Macrocyclic Iron(II)/(NH)2P2Catalysts","Organic Process Research & Development","2016","20","2","253","","10.1021/acs.oprd.5b00391","","x-ray","0.71073","MoKα","","0.062","0.0509","","","0.111","0.1154","","","","","","0.973","","","","has coordinates","177428","2020-10-21","18:00:00",""
"1542352","11.4197","0.0002","15.8645","0.0003","16.2611","0.0004","66.72","0.001","86.95","0.001","71.548","0.001","2558.26","0.09","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C52 H72 N4 O19 -","- C52 H72 N4 O19 -","- C104 H144 N8 O38 -","2","2","","Widlicka, Daniel W.; Murray, John C.; Coffman, Karen J.; Xiao, Chunguang; Brodney, Michael A.; Rainville, Joseph P.; Samas, Brian","Two Routes to 4-Fluorobenzisoxazol-3-one in the Synthesis of a 5-HT4Partial Agonist","Organic Process Research & Development","2016","20","2","233","","10.1021/acs.oprd.5b00389","","","1.54178","CuKα","","0.0468","0.0442","","","0.1139","0.1168","","","","","","1.05","","","","has coordinates,has disorder","177427","2020-10-21","18:00:00",""
"1542985","13.85","0.003","15.604","0.003","14.083","0.003","90","","90.44","0.03","90","","3043.5","1.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H68 Ca2 N16 O24 S4 -","- C40 H68 Ca2 N16 O24 S4 -","- C80 H136 Ca4 N32 O48 S8 -","2","1","","Sun, Jia; Xie, Chuang; Zhang, Xia; Bao, Ying; Hou, Baohong; Wang, Zhao; Gong, Junbo; Hao, Hongxun; Wang, Yongli; Wang, Jingkang; Yin, Qiuxiang","Preparation and Dehydration Kinetics of Complex Sulfadiazine Calcium Hydrate with Both Channel-Type and Coordinated Water","Organic Process Research & Development","2016","20","4","780","","10.1021/acs.oprd.6b00027","","","0.71073","MoKα","","0.0729","0.0498","","","0.1008","0.1104","","","","","","1.036","","","","has coordinates","182509","2020-10-21","18:00:00",""
"1545004","5.1315","0.0006","14.049","0.0014","23.6852","0.0019","90","","90","","90","","1707.5","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F2 I N O3 -","- C16 H17 F2 I N O3 -","- C64 H68 F8 I4 N4 O12 -","4","1","","Sun, Guodong; Wei, Mingjie; Luo, Zhonghua; Liu, Yongjun; Chen, Zhijun; Wang, Zhongqing","An Alternative Scalable Process for the Synthesis of the Key Intermediate of Omarigliptin","Organic Process Research & Development","2016","20","12","2074","","10.1021/acs.oprd.6b00295","","","1.54178","CuKα","","0.0576","0.0454","","","0.1095","0.1204","","","","","","1.009","","","","has coordinates","214153","2020-10-21","18:00:00",""