# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T20:55:30+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 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
"1502622","6.9608","0.0002","15.583","0.0007","31.3056","0.0013","90","","90","","90","","3395.7","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl N O2.5 -","- C18 H25 Cl N O2.5 -","- C144 H200 Cl8 N8 O20 -","8","2","","Shevchenko, Anna; Belle, David Din; Tiittanen, Saara; Karjalainen, Arto; Tolvanen, Arto; Tanninen, Veli Pekka; Haarala, Jorma; Mäkelä, Mikko; Yliruusi, Jouko; Miroshnyk, Inna","Coupling Polymorphism/Solvatomorphism and Physical Stability Evaluation with Early Salt Synthesis Optimization of an Investigational Drug","Organic Process Research & Development","2011","15","3","666","","10.1021/op200026f","","","0.71073","MoKα","","0.1111","0.0685","","","0.1217","0.1352","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502623","24.264","0.008","24.798","0.01","26.166","0.008","90","","104.12","0.02","90","","15268","9","100.2","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C74 H84 Cl2 N6 P2 Ru -","- C74 Cl2 N6 P2 Ru -","- C592 Cl16 N48 P16 Ru8 -","8","2","","Goto, Mitsutaka; Konishi, Takahiro; Kawaguchi, Shinji; Yamada, Masatoshi; Nagata, Toshiaki; Yamano, Mitsuhisa","Process Research on the Asymmetric Hydrogenation of a Benzophenone for Developing the Manufacturing Process of the Squalene Synthase Inhibitor TAK-475","Organic Process Research & Development","2011","15","5","1178","","10.1021/op2001673","","","1.5419","CuKα","","0.1948","0.1857","","","","0.46","","","","","","1.72","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503438","6.3734","0.0002","12.5913","0.0003","26.0483","0.0006","90","","90","","90","","2090.36","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C92 H112 N8 O12 -","4","1","","Caille, Seb; Boni, Jerome; Cox, Geoffrey B.; Faul, Margaret M.; Franco, Pilar; Khattabi, Saab; Klingensmith, Liane M.; Larrow, Jay F.; Lee, James K.; Martinelli, Michael J.; Miller, Larry M.; Moniz, George A.; Sakai, Kenichi; Tedrow, Jason S.; Hansen, Karl B.","Comparison of Large-Scale Routes to Manufacture Chiralexo-2-Norbornyl Thiourea","Organic Process Research & Development","2010","14","1","133","","10.1021/op9002328","","x-ray","0.71073","MoKα","","0.0775","0.0417","","","0.0737","0.0844","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503630","11.299","0.003","11.299","0.003","30.405","0.008","90","","90","","120","","3361.7","1.5","293","2","293","2","","","","","","","synthesis as described","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C35 H46 Br2 N2 O15 -","- C41 H46 Br2 N2 O15 -","- C123 H138 Br6 N6 O45 -","3","0.5","","Gonella, Silvia; Mahieux, Julien; Sanselme, Morgane; Coquerel, Gérard","Spotting a Conglomerate Is Just Halfway to Achieving a Preparative Resolution by Preferential Crystallization","Organic Process Research & Development","2012","16","2","286","","10.1021/op200092f","","x-ray","0.71073","MoKα","","0.0977","0.0503","","","0.1167","0.131","","","","","","0.856","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503631","5.7819","0.0011","9.6587","0.0018","13.317","0.003","79.109","0.003","82.475","0.003","86.782","0.003","723.6","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C28 H32 Cl2 N2 O8 -","- C28 H32 Cl2 N2 O8 -","- C28 H32 Cl2 N2 O8 -","1","1","","Gonella, Silvia; Mahieux, Julien; Sanselme, Morgane; Coquerel, Gérard","Spotting a Conglomerate Is Just Halfway to Achieving a Preparative Resolution by Preferential Crystallization","Organic Process Research & Development","2012","16","2","286","","10.1021/op200092f","","x-ray","0.71073","MoKα","","0.0394","0.0387","","","0.1023","0.1033","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504315","9.0929","0.0009","12.3452","0.0012","22.031","0.002","90","","90","","90","","2473.1","0.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N3 O5 S -","- C28 H25 N3 O5 S -","- C112 H100 N12 O20 S4 -","4","1","","Roy, Bhairab Nath; Singh, Girij Pal; Srivastava, Dhananjai; Jadhav, Harishchandra S.; Saini, Manmeet B.; Aher, Umesh P.","A Novel Method for Large-Scale Synthesis of Lamivudine through Cocrystal Formation of Racemic Lamivudine with (S)-(−)-1,1′-Bi(2-naphthol) [(S)-(BINOL)]","Organic Process Research & Development","2009","13","3","450","","10.1021/op800228h","","","0.71073","MoKα","","0.0321","0.0292","","","0.077","0.0798","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504316","16.163","0.01","8.953","0.005","22.95","0.014","90","","90","","90","","3321","3","108","2","108","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C144 H144 N16 O48 -","16","2","","Hansen, Marvin M.; Borders, Sandra S. K.; Clayton, Marcella T.; Heath, Perry C.; Kolis, Stanley P.; Larsen, Samuel D.; Linder, Ryan J.; Reutzel-Edens, Susan M.; Smith, Justin C.; Tameze, Shella L.; Ward, Jeffrey A.; Weigel, Leland O.","Development of a Practical Synthesis of an Aminoindanol-Derived M1 Agonist†","Organic Process Research & Development","2009","13","2","198","","10.1021/op800243q","","","0.71073","MoKα","","0.0974","0.0452","","","0.1007","0.1176","","","","","","0.963","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504317","16.038","0.012","14.67","0.011","15.634","0.012","90","","116.362","0.011","90","","3296","4","105","2","105","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C144 H144 N16 O48 -","16","2","","Hansen, Marvin M.; Borders, Sandra S. K.; Clayton, Marcella T.; Heath, Perry C.; Kolis, Stanley P.; Larsen, Samuel D.; Linder, Ryan J.; Reutzel-Edens, Susan M.; Smith, Justin C.; Tameze, Shella L.; Ward, Jeffrey A.; Weigel, Leland O.","Development of a Practical Synthesis of an Aminoindanol-Derived M1 Agonist†","Organic Process Research & Development","2009","13","2","198","","10.1021/op800243q","","","0.71073","MoKα","","0.2507","0.0821","","","0.1425","0.1793","","","","","","0.884","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504318","6.0017","0.0002","12.0689","0.0003","29.9339","0.0008","90","","90","","90","","2168.23","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 N O7 S -","- C21 H33 N O7 S -","- C84 H132 N4 O28 S4 -","4","1","","Kopach, Michael E.; Singh, Utpal K.; Kobierski, Michael E.; Trankle, William G.; Murray, Michael M.; Pietz, Mark A.; Forst, Mindy B.; Stephenson, Gregory A.; Mancuso, Vincent; Giard, Thierry; Vanmarsenille, Michel; DeFrance, Thierry","Practical Synthesis of Chiral 2-Morpholine: (4-Benzylmorpholin-2-(S)-yl)-(tetrahydropyran-4-yl)methanone Mesylate, a Useful Pharmaceutical Intermediate","Organic Process Research & Development","2009","13","2","209","","10.1021/op800247w","","","1.54178","CuKα","","0.0781","0.0608","","","0.165","0.1737","","","","","","1.065","","","","has coordinates","198667","2020-10-21","18:00:00",""
"1504319","9.4251","0.0002","9.2575","0.0002","20.1686","0.0005","90","","90","","90","","1759.77","0.07","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","para-Chloropropionanilide","","","- C9 H10 Cl N O -","- C9 H10 Cl N O -","- C72 H80 Cl8 N8 O8 -","8","1","","Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L.","Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?†","Organic Process Research & Development","2009","13","6","1231","","10.1021/op900169b","","","0.71073","MoKα","","0.0428","0.0372","","","0.0863","0.0905","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504320","9.7381","0.0002","10.0151","0.0001","22.9501","0.0004","90","","90","","90","","2238.28","0.06","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","para-Chloro-t-butylanilide","","","- C11 H14 Cl N O -","- C11 H14 Cl N O -","- C88 H112 Cl8 N8 O8 -","8","1","","Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L.","Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?†","Organic Process Research & Development","2009","13","6","1231","","10.1021/op900169b","","","0.71073","MoKα","","0.0401","0.0331","","","0.0812","0.0859","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504321","42.887","0.005","5.1367","0.0005","19.263","0.003","90","","108.372","0.005","90","","4027.3","0.9","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","para-Methylbutyranilide","","","- C11 H15 N O -","- C11 H15 N O -","- C176 H240 N16 O16 -","16","2","","Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L.","Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?†","Organic Process Research & Development","2009","13","6","1231","","10.1021/op900169b","","","0.71073","MoKα","","0.2225","0.1191","","","0.2299","0.2771","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504322","9.1595","0.0008","11.8459","0.001","6.6063","0.0005","90","","93.952","0.006","90","","715.1","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","meta-Bromoformanilide","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C28 H24 Br4 N4 O4 -","4","1","","Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L.","Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?†","Organic Process Research & Development","2009","13","6","1231","","10.1021/op900169b","","","0.71073","MoKα","","0.0476","0.0401","","","0.0982","0.1023","","","","","","1.066","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504323","10.848","0.0004","9.8017","0.0003","13.5375","0.0004","90","","90","","90","","1439.43","0.08","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","para-Bromoformanilide","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C56 H48 Br8 N8 O8 -","8","1","","Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L.","Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?†","Organic Process Research & Development","2009","13","6","1231","","10.1021/op900169b","","","0.71073","MoKα","","0.0326","0.0255","","","0.0614","0.0668","","","","","","0.986","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504324","7.1142","0.0003","10.3129","0.0006","12.2349","0.0008","77.686","0.003","79.631","0.004","70.525","0.004","821.03","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","para-Trifluoromethylformanilide","","","- C8 H6 F3 N O -","- C8 H6 F3 N O -","- C32 H24 F12 N4 O4 -","4","2","","Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L.","Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?†","Organic Process Research & Development","2009","13","6","1231","","10.1021/op900169b","","","0.71073","MoKα","","0.1004","0.0577","","","0.1384","0.1617","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504997","52.7951","0.0012","7.8456","0.0002","12.2836","0.0002","90","","99.379","0.001","90","","5019.96","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 N3 O3 -","- C30 H27 N3 O3 -","- C240 H216 N24 O24 -","8","1","","Norris, Timothy; VanAlsten, John; Hubbs, Stephen; Ewing, Marcus; Cai, Weiling; Jorgensen, Matthew L.; Bordner, Jon; Jensen, Grace O.","Commercialization and Late-Stage Development of a Semisynthetic Antifungal API: Anidulafungin/d-Fructose (Eraxis)","Organic Process Research & Development","2008","12","3","447","","10.1021/op800055h","","","1.54178","CuKα","","0.0873","0.0688","","","0.1955","0.2172","","","","","","1.008","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504998","13.3413","0.0002","13.3413","0.0002","46.8389","0.0007","90","","90","","120","","7219.94","0.19","298","2","298","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C34 H63 Cl N7 O20.5 -","- C34 H52 Cl N7 O20.5 -","- C204 H312 Cl6 N42 O123 -","6","1","","Norris, Timothy; VanAlsten, John; Hubbs, Stephen; Ewing, Marcus; Cai, Weiling; Jorgensen, Matthew L.; Bordner, Jon; Jensen, Grace O.","Commercialization and Late-Stage Development of a Semisynthetic Antifungal API: Anidulafungin/d-Fructose (Eraxis)","Organic Process Research & Development","2008","12","3","447","","10.1021/op800055h","","","1.54178","CuKα","","0.0874","0.0787","","","0.2223","0.2294","","","","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504999","7.9047","0.0005","13.4494","0.0008","18.2343","0.0011","90","","90","","90","","1938.6","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N5 -","- C21 H27 N5 -","- C84 H108 N20 -","4","1","","Crawford, Jason B.; Chen, Gang; Gauthier, David; Wilson, Trevor; Carpenter, Bryon; Baird, Ian R.; McEachern, Ernie; Kaller, Alan; Harwig, Curtis; Atsma, Bem; Skerlj, Renato T.; Bridger, Gary J.","AMD070, a CXCR4 Chemokine Receptor Antagonist: Practical Large-Scale Laboratory Synthesis","Organic Process Research & Development","2008","12","5","823","","10.1021/op8000993","","","0.71069","MoKα","","0.0523","0.0373","","","0.0756","0.0806","","","","","","0.904","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505668","8.2971","0.0017","9.7116","0.0019","14.452","0.003","81","0.03","81.81","0.03","66.27","0.03","1048.9","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 F4 N3 O5 S -","- C22 H17 F4 N3 O5 S -","- C44 H34 F8 N6 O10 S2 -","2","1","","Hashimoto, Akihiro; Pais, Godwin C. G.; Wang, Qiuping; Lucien, Edlaine; Incarvito, Christopher D.; Deshpande, Milind; Bradbury, Barton J.; Wiles, Jason A.","Practical Synthesis and Molecular Structure of a Potent Broad-Spectrum Antibacterial Isothiazoloquinolone","Organic Process Research & Development","2007","11","3","389","","10.1021/op700014t","","","0.71073","MoKα","","0.0887","0.0533","","","0.1352","0.1499","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505669","8.6649","0.0017","9.1625","0.0018","14.151","0.003","79.77","0.03","74.02","0.03","74.16","0.03","1032.7","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 F8 N2 O7 S -","- C18 H12 F8 N2 O7 S -","- C36 H24 F16 N4 O14 S2 -","2","1","","Hashimoto, Akihiro; Pais, Godwin C. G.; Wang, Qiuping; Lucien, Edlaine; Incarvito, Christopher D.; Deshpande, Milind; Bradbury, Barton J.; Wiles, Jason A.","Practical Synthesis and Molecular Structure of a Potent Broad-Spectrum Antibacterial Isothiazoloquinolone","Organic Process Research & Development","2007","11","3","389","","10.1021/op700014t","","","0.71073","MoKα","","0.0811","0.0598","","","0.1742","0.1858","","","","","","1.262","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505670","24.528","0.005","7.134","0.0014","21.125","0.004","90","","114.89","0.03","90","","3353.2","1.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 F2 N O6 S -","- C17 H17 F2 N O6 S -","- C136 H136 F16 N8 O48 S8 -","8","2","","Hashimoto, Akihiro; Pais, Godwin C. G.; Wang, Qiuping; Lucien, Edlaine; Incarvito, Christopher D.; Deshpande, Milind; Bradbury, Barton J.; Wiles, Jason A.","Practical Synthesis and Molecular Structure of a Potent Broad-Spectrum Antibacterial Isothiazoloquinolone","Organic Process Research & Development","2007","11","3","389","","10.1021/op700014t","","","0.71073","MoKα","","0.1526","0.0778","","","0.1743","0.2018","","","","","","1.042","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505671","8.8361","0.0018","9.6639","0.0019","10.439","0.002","101.76","0.03","99.69","0.03","113.51","0.03","768.7","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 F2 N O4 S -","- C16 H15 F2 N O4 S -","- C32 H30 F4 N2 O8 S2 -","2","1","","Hashimoto, Akihiro; Pais, Godwin C. G.; Wang, Qiuping; Lucien, Edlaine; Incarvito, Christopher D.; Deshpande, Milind; Bradbury, Barton J.; Wiles, Jason A.","Practical Synthesis and Molecular Structure of a Potent Broad-Spectrum Antibacterial Isothiazoloquinolone","Organic Process Research & Development","2007","11","3","389","","10.1021/op700014t","","","0.71073","MoKα","","0.07","0.0507","","","0.1459","0.1581","","","","","","1.089","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505672","30.683","0.005","30.683","0.005","8.352","0.002","90","","90","","90","","7863","3","193","2","193","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C16 H29 Cl N4 O4 -","- C16 H29 Cl N4 O4 -","- C256 H464 Cl16 N64 O64 -","16","1","","Barkalow, Jufang H.; Breting, Jeffrey; Gaede, Bruce J.; Haight, Anthony R.; Henry, Rodger; Kotecki, Brian; Mei, Jianzhang; Pearl, Kurt B.; Tedrow, Jason S.; Viswanath, Shekhar K.","Process Development for ABT-472, a Benzimidazole PARP Inhibitor","Organic Process Research & Development","2007","11","4","693","","10.1021/op7000194","","","0.71073","MoKα","","0.0658","0.0563","","","0.152","0.1617","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505673","17.36","0.004","9.944","0.002","18.696","0.004","90","","108.13","0.03","90","","3067.2","1.3","100","2","100","2","","","","","","","Synthetic","5","P 1 21 1","P 2yb","4","","(R)-7-Benzyloxy-2-methyl-4-(4-methylsulfanyl-phenyl)- 1,2,3,4-tetrahydro-isoquinoline (S)-(S)-2,3-Bis-(4-methyl-benzoyloxy)-succinic acid","","- C69 H71 N2 O11 S2 -","- C69 H71 N2 O11 S2 -","- C138 H142 N4 O22 S4 -","2","1","","Deng, Xiaohu; Liang, Jimmy T.; Liu, Jing; McAllister, Heather; Schubert, Carsten; Mani, Neelakandha S.","A Practical Synthesis of Enantiopure 7-Alkoxy-4-aryl-tetrahydroisoquinoline, a Dual Serotonin Reuptake Inhibitor/Histamine H3Antagonist","Organic Process Research & Development","2007","11","6","1043","","10.1021/op700183q","","x-ray","1.54178","CuKα","","0.0481","0.0479","","","0.1167","0.117","","","","","","1.201","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506789","8.879","0.001","9.416","0.001","22.361","0.002","90","","95.98","0.007","90","","1859.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tazarotene","6-(2-(4,4-dimethyl-thiochroman-6yl)ethynyl)-nicotinic acid ethyl ester","","- C21 H21 N O2 S -","- C21 H21 N O2 S -","- C84 H84 N4 O8 S4 -","4","1","","Frigoli, Samuele; Fuganti, Claudio; Malpezzi, Luciana; Serra, Stefano","A Practical and Efficient Process for the Preparation of Tazarotene","Organic Process Research & Development","2005","9","5","646","","10.1021/op050080x","","","1.54179","CuKα","","0.0644","0.0592","","","0.1585","0.1648","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506790","10.066","0.002","28.719","0.005","4.831","0.001","90","","103.45","0.01","90","","1358.3","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","carbamazepine dihydrate","5H-dibenz(b,f)azepine-5-carboxamide, dihydrate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Harris, Robin K.; Ghi, Phuong Y.; Puschmann, Horst; Apperley, David C.; Griesser, Ulrich J.; Hammond, Robert B.; Ma, Caiyun; Roberts, Kevin J.; Pearce, Greg J.; Yates, Jonathan R.; Pickard, Chris J.","Structural Studies of the Polymorphs of Carbamazepine, Its Dihydrate, and Two Solvates","Organic Process Research & Development","2005","9","6","902","","10.1021/op0500990","","","0.71073","MoKα","","0.0916","0.0729","","","0.1926","0.214","","","","","","0.85","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507417","9.3582","0.0003","11.2325","0.0003","11.0655","0.0004","90","","94.2238","0.0012","90","","1160","0.06","150","","150","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C31 H22 N P -","- C31 H22 N P -","- C62 H44 N2 P2 -","2","1","","Lim, Chung Woo; Tissot, Olivier; Mattison, Andrew; Hooper, Mark W.; Brown, John M.; Cowley, Andrew R.; Hulmes, David I.; Blacker, A. John","Practical Preparation and Resolution of 1-(2‘-Diphenylphosphino-1‘-naphthyl)isoquinoline: A Useful Ligand for Catalytic Asymmetric Synthesis","Organic Process Research & Development","2003","7","3","379","","10.1021/op034007n","","","0.71073","MoKα","","","0.0327","","","","0.0331","","","","","","1.0648","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507418","8.646","0.002","8.761","0.003","11.811","0.007","109.19","0.07","105.72","0.03","99.38","0.04","781.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H23 N2 O4 P -","- C12 H23 N2 O4 P -","- C24 H46 N4 O8 P2 -","2","1","","Satish Kumar, N.; Kumaraswamy, Sudha; Said, Musa A.; Kumara Swamy, K. C.","Hydrolysis of Cyclic Phosphites/Phosphoramidites and Its Inhibition-Reversible Cyclization of Acyclic Phosphonate Salts to Cyclic Phosphites","Organic Process Research & Development","2003","7","6","925","928","10.1021/op034058k","","","0.71073","MoKα","","0.0933","0.0635","","","0.1726","0.1968","","","","","","1.184","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519691","9.7837","0.0005","17.3161","0.001","17.4313","0.001","80.898","0.003","88.203","0.003","89.242","0.003","2914.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H52 N2 Zr -","- C28 H52 N2 Zr -","- C112 H208 N8 Zr4 -","4","2","","Zhang, Chunming; Pan, Heqi; Klosin, Jerzy; Tu, Siyu; Jaganathan, Arvind; Fontaine, Philip P.","Synthetic Optimization and Scale-Up of Imino‒Amido Hafnium and Zirconium Olefin Polymerization Catalysts","Organic Process Research & Development","2015","19","10","1383","","10.1021/acs.oprd.5b00047","","","0.71073","MoKα","","0.0747","0.0683","","","0.1822","0.186","","","","","","1.154","","","","has coordinates,has disorder","170097","2020-10-21","18:00:00",""
"1519692","14.8632","0.0005","7.9124","0.0002","18.9392","0.0004","90","","90","","90","","2227.32","0.1","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H23 N5 O3 -","- C25 H23 N5 O3 -","- C100 H92 N20 O12 -","4","1","","Kiang, Y.-H.; Bercot, Eric A.; Wu, Qiong; Liu, Jodi; Milburn, Robert R.; Cohen, Dawn E.; Borths, Christopher J.; Saw, Robert E.; Staples, Richard J.; Davis, Carl; Thiel, Oliver R.","Selection of a Suitable Physical Form and Development of a Crystallization Process for a PDE10A Inhibitor Exhibiting Enantiotropic Polymorphism","Organic Process Research & Development","2015","19","12","1849","","10.1021/acs.oprd.5b00031","","","0.71073","MoKα","","0.0466","0.0413","","","0.1006","0.106","","","","","","1.071","","","","has coordinates","173603","2020-10-21","18:00:00",""
"1519693","18.0735","0.0013","12.3153","0.0012","9.8022","0.0008","90","","91.823","0.005","90","","2180.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N5 O3 -","- C25 H23 N5 O3 -","- C100 H92 N20 O12 -","4","1","","Kiang, Y.-H.; Bercot, Eric A.; Wu, Qiong; Liu, Jodi; Milburn, Robert R.; Cohen, Dawn E.; Borths, Christopher J.; Saw, Robert E.; Staples, Richard J.; Davis, Carl; Thiel, Oliver R.","Selection of a Suitable Physical Form and Development of a Crystallization Process for a PDE10A Inhibitor Exhibiting Enantiotropic Polymorphism","Organic Process Research & Development","2015","19","12","1849","","10.1021/acs.oprd.5b00031","","","1.54178","CuKα","","0.0653","0.0454","","","0.1136","0.1259","","","","","","1.023","","","","has coordinates","173603","2020-10-21","18:00:00",""
"1520611","13.8135","0.0004","13.3386","0.0004","14.0876","0.0004","90","","114.496","0.0011","90","","2362.04","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-N-(2-(4-((4-fluorobenzyl)imino)-2,7-dimethyl-8-oxo-7,8-dihydro-4H-[1,3 dioxino[5,4-d]pyrimidin-6-yl)propan-2-yl)-5-methyl-1,3,4-oxadiazole-2-carboxamide","","- C22 H23 F N6 O5 -","- C22 H23 F N6 O5 -","- C88 H92 F4 N24 O20 -","4","1","","Tsou, Nancy; Shultz, C. Scott; Andreani, Teresa; Ball, Richard G.; Brunskill, Andrew; Balsells, Jaume; Cohen, Ryan D.; DaSilva, Jimmy; Li, Jing; Reamer, Robert A.; de Lera Ruiz, Manuel; Variankaval, Narayan; Varsolona, Richard J.; Yasuda, Nobuyoshi; York, Gregory","Careful Navigation of the Crystallographic Landscape of MK-8970: A Racemic Acetal Carbonate Prodrug of Raltegravir","Organic Process Research & Development","2015","19","12","1882","","10.1021/acs.oprd.5b00129","","","1.54178","CuKα","","0.0498","0.042","","","0.1049","0.109","","","","","","1.06","","","","has coordinates","173602","2020-10-21","18:00:00",""
"1520612","9.4933","0.0018","11.2461","0.0019","24.486","0.004","90","","90","","90","","2614.2","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-ethyl (1-((4-((4-fluorobenzyl)carbamoyl)-1-methyl-2-(2-(5-methyl-1,3,4- oxadiazole-2-carboxamido)propan-2-yl)-6-oxo-1,6-dihydropyrimidin-5-yl) oxy)ethyl)","","- C25 H29 F N6 O8 -","- C25 H29 F N6 O8 -","- C100 H116 F4 N24 O32 -","4","1","","Tsou, Nancy; Shultz, C. Scott; Andreani, Teresa; Ball, Richard G.; Brunskill, Andrew; Balsells, Jaume; Cohen, Ryan D.; DaSilva, Jimmy; Li, Jing; Reamer, Robert A.; de Lera Ruiz, Manuel; Variankaval, Narayan; Varsolona, Richard J.; Yasuda, Nobuyoshi; York, Gregory","Careful Navigation of the Crystallographic Landscape of MK-8970: A Racemic Acetal Carbonate Prodrug of Raltegravir","Organic Process Research & Development","2015","19","12","1882","","10.1021/acs.oprd.5b00129","","","1.54178","CuKα","","0.0387","0.0324","","","0.0745","0.0773","","","","","","1.026","","","","has coordinates","173602","2020-10-21","18:00:00",""
"1520613","11.2744","0.0003","9.4324","0.0003","25.6466","0.0007","90","","102.205","0.002","90","","2665.73","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl (1-((4-((4-fluorobenzyl)carbamoyl)-1-methyl-2-(2-(5-methyl-1,3,4-oxadiazole-2-carboxamido) propan-2-yl)-6-oxo-1,6-dihydropyrimidin-5-yl)oxy)ethyl)","","- C25 H29 F N6 O8 -","- C25 H29 F N6 O8 -","- C100 H116 F4 N24 O32 -","4","1","","Tsou, Nancy; Shultz, C. Scott; Andreani, Teresa; Ball, Richard G.; Brunskill, Andrew; Balsells, Jaume; Cohen, Ryan D.; DaSilva, Jimmy; Li, Jing; Reamer, Robert A.; de Lera Ruiz, Manuel; Variankaval, Narayan; Varsolona, Richard J.; Yasuda, Nobuyoshi; York, Gregory","Careful Navigation of the Crystallographic Landscape of MK-8970: A Racemic Acetal Carbonate Prodrug of Raltegravir","Organic Process Research & Development","2015","19","12","1882","","10.1021/acs.oprd.5b00129","","","1.54178","CuKα","","0.0706","0.0578","","","0.1526","0.161","","","","","","1.055","","","","has coordinates","173602","2020-10-21","18:00:00",""
"1530688","20.4743","0.0012","8.7109","0.0006","22.4995","0.0014","90","","112.422","0.004","90","","3709.4","0.4","150","0.02","150","0.02","","","","","","","","5","P 1 2 1","P 2y","3","","","","- C36 H53 N3 O4 S -","- C36 H53 N3 O4 S -","- C144 H212 N12 O16 S4 -","4","2","","Martinot, Theodore A.; Austad, Brian C.; Côté, Alexandre; Depew, Kristopher M.; Genov, Daniel; Grenier, Louis; Helble, Joseph; Lescarbeau, Andre; Nair, Somarajan; Trudeau, Martin; White, Priscilla; Yu, Lin-Chen","A Design of Experiments Approach to a Robust Final Deprotection and Reactive Crystallization of IPI-926, A Novel Hedgehog Pathway Inhibitor","Organic Process Research & Development","2015","19","11","1693","","10.1021/acs.oprd.5b00214","","","1.54184","CU-Kα","","0.161","0.099","","","0.235","0.285","","","","","","1.002","","","","has coordinates","288193","2023-12-08","17:12:23",""
"1530689","21.0551","0.0006","21.0551","0.0006","13.925","0.0005","90","","90","","120","","5346.1","0.3","150","0.02","150","0.02","","","","","","","","6","P 61","P 61","169","","","","- C29 H49 Cl N2 O3 S -","- C29 H49 Cl N2 O3 S -","- C174 H294 Cl6 N12 O18 S6 -","6","1","","Martinot, Theodore A.; Austad, Brian C.; Côté, Alexandre; Depew, Kristopher M.; Genov, Daniel; Grenier, Louis; Helble, Joseph; Lescarbeau, Andre; Nair, Somarajan; Trudeau, Martin; White, Priscilla; Yu, Lin-Chen","A Design of Experiments Approach to a Robust Final Deprotection and Reactive Crystallization of IPI-926, A Novel Hedgehog Pathway Inhibitor","Organic Process Research & Development","2015","19","11","1693","","10.1021/acs.oprd.5b00214","","","1.54184","CU-Kα","","0.094","0.083","","","0.218","0.234","","","","","","1.101","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530690","7.378","0.0005","14.3067","0.001","36.57","0.003","90","","92.36","0.001","90","","3856.9","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H60.5 Br N2 O5.25 S2 -","- C38 H60.5 Br N2 O5.25 S2 -","- C152 H242 Br4 N8 O21 S8 -","4","2","","Martinot, Theodore A.; Austad, Brian C.; Côté, Alexandre; Depew, Kristopher M.; Genov, Daniel; Grenier, Louis; Helble, Joseph; Lescarbeau, Andre; Nair, Somarajan; Trudeau, Martin; White, Priscilla; Yu, Lin-Chen","A Design of Experiments Approach to a Robust Final Deprotection and Reactive Crystallization of IPI-926, A Novel Hedgehog Pathway Inhibitor","Organic Process Research & Development","2015","19","11","1693","","10.1021/acs.oprd.5b00214","","x-ray","0.71073","MoKα","","0.1177","0.0678","","","0.1592","0.188","","","","","","0.981","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532833","8.7278","0.0003","9.6635","0.0004","46.6791","0.0018","90","","90","","90","","3937","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dibenzylammonium (3R,6R)-6-methyl-2-oxopiperidine -3-carboxylate","","- C21 H28 N2 O4 -","- C21 H28 N2 O4 -","- C168 H224 N16 O32 -","8","2","","Chung, John Y. L.; Marcune, Benjamin; Strotman, Hallena R.; Petrova, Rositza I.; Moore, Jeffrey C.; Dormer, Peter G.","Synthesis of ((3R,6R)-6-Methylpiperidin-3-yl)methanol via Biocatalytic Transamination and Crystallization-Induced Dynamic Resolution","Organic Process Research & Development","2015","19","10","1418","","10.1021/acs.oprd.5b00259","","x-ray","1.5418","CuKα","","0.0605","0.0507","","","0.1182","0.1216","","","","","","1.043","","","","has coordinates","170096","2020-10-21","18:00:00",""
"1540389","15.929","0.003","10.828","0.002","13.718","0.003","90","","91.62","0.03","90","","2365.1","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 F2 N3 Na O7 S -","- C19 H24 F2 N3 Na O7 S -","- C76 H96 F8 N12 Na4 O28 S4 -","4","1","","Jiang, Chen; Wang, Yongli; Yan, Jiaqi; Yang, Jingxiang; Xiao, Liping; Hao, Hongxun","Formation Mechanism and Phase Transformation Behaviors of Pantoprazole Sodium Heterosolvate","Organic Process Research & Development","2015","19","11","1752","","10.1021/acs.oprd.5b00243","","","0.71073","MoKα","","0.0918","0.059","","","0.1591","0.1808","","","","","","1.015","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"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",""
"1546762","9.411","0.003","14.986","0.004","19.855","0.006","90","","90","","90","","2800.2","1.4","100.2","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cis-2-Nitro-N-(1-oxidotetrahydro-2H-thiopyran-4-yl)benzenesulfonamide","","- C11 H14 N2 O5 S2 -","- C11 H14 N2 O5 S2 -","- C88 H112 N16 O40 S16 -","8","1","","Mizojiri, Ryo; Takami, Kazuaki; Ito, Tatsuya; Maeda, Hiroyuki; Yamano, Mitsuhisa; Kawamoto, Tetsuji","Efficient and Stereoselective Syntheses of Isomerically Pure 4-Aminotetrahydro-2H-thiopyran 1-Oxide Derivatives","Organic Process Research & Development","2017","21","7","1034","","10.1021/acs.oprd.7b00147","","","1.5419","CuKα","","0.0439","0.0328","","","0.0834","0.1009","","","","","","0.177","","","","has coordinates","199561","2020-10-21","18:00:00",""
"1547550","8.6067","0.0001","19.0255","0.0002","28.0976","0.0002","90","","90","","90","","4600.89","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H65 F N6 O10 -","- C43 H65 F N6 O10 -","- C172 H260 F4 N24 O40 -","4","1","","Zhong, Zhihong; Du, Chong; Luo, Zhonghua; Song, Shuaihua; Liao, Gaohong; Yao, Jia; Goldmann, Siegfried; Wang, Zhongqing","Identification, Characterization, Synthesis, and Strategy for Minimization of Potential Impurities Observed in the Synthesis of Solithromycin","Organic Process Research & Development","2017","21","9","1371","","10.1021/acs.oprd.7b00201","","","1.54178","CuKα","","0.0397","0.0342","","","0.0827","0.0862","","","","","","1.051","","","","has coordinates","201700","2020-10-21","18:00:00",""
"1548361","5.3618","0.0006","15.15","0.002","10.5728","0.0011","90","","92.826","0.009","90","","857.8","0.17","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 O4 -","- C8 H12 O4 -","- C32 H48 O16 -","4","1","","Gérardy, Romaric; Winter, Marc; Horn, Clemens R.; Vizza, Alessandra; Van Hecke, Kristof; Monbaliu, Jean-Christophe M.","Continuous-Flow Preparation of γ-Butyrolactone Scaffolds from Renewable Fumaric and Itaconic Acids under Photosensitized Conditions","Organic Process Research & Development","2017","21","12","2012","","10.1021/acs.oprd.7b00314","","x-ray","1.54184","CuKα","","0.099","0.0756","","","0.1691","0.1956","","","","","","1.099","","","","has coordinates,has disorder","204879","2020-10-21","18:00:00",""
"1552848","7.52","","38.53","","8.44","","90","","107.82","","90","","2328.13","","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl N2 O3 -","- C26 H25 Cl N2 O3 -","- C104 H100 Cl4 N8 O12 -","4","1","","Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M.","Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography","Organic Process Research & Development","2018","22","10","1365","","10.1021/acs.oprd.8b00149","","electron","0.0335","electron","","","","","","","","","","","","","","","","","has coordinates","227484","2020-10-21","18:00:00",""
"1552849","4.99","","11.92","","22.95","","90","","90","","90","","1365.08","","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M.","Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography","Organic Process Research & Development","2018","22","10","1365","","10.1021/acs.oprd.8b00149","","electron","0.0335","electron","","","","","","","","","","","","","","","","","has coordinates","227486","2020-10-21","18:00:00",""
"1552850","5.045","0.0004","12.4178","0.0011","23.187","0.002","90","","90","","90","","1452.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M.","Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography","Organic Process Research & Development","2018","22","10","1365","","10.1021/acs.oprd.8b00149","","","1.54184","CuKα","","0.0813","0.0672","","","0.179","0.2043","","","","","","1.028","","","","has coordinates","227488","2020-10-21","18:00:00",""
"1552851","7.627","0.001","38.007","0.004","8.5629","0.0012","90","","108.118","0.015","90","","2359.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl N2 O3 -","- C26 H25 Cl N2 O3 -","- C104 H100 Cl4 N8 O12 -","4","1","","Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M.","Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography","Organic Process Research & Development","2018","22","10","1365","","10.1021/acs.oprd.8b00149","","","1.54184","CuKα","","0.1196","0.0772","","","0.2324","0.2528","","","","","","1.176","","","","has coordinates,has disorder","227489","2020-10-21","18:00:00",""
"1552852","10.0671","0.0003","10.4134","0.0003","16.284","0.0005","90","","97.398","0.001","90","","1692.89","0.09","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 F2 N O3 -","- C20 H17 F2 N O3 -","- C80 H68 F8 N4 O12 -","4","2","","Smith, Aaron C.; Kung, Daniel W.; Shavnya, Andre; Brandt, Thomas A.; Dent, Philip D.; Genung, Nathan E.; Cabral, Shawn; Panteleev, Jane; Herr, Michael; Yip, Ka Ning; Aspnes, Gary E.; Conn, Edward L.; Dowling, Matthew S.; Edmonds, David J.; Edmonds, Ian D.; Fernando, Dilinie P.; Herrinton, Paul M.; Keene, Nandell F.; Lavergne, Sophie Y.; Li, Qifang; Polivkova, Jana; Rose, Colin R.; Thuma, Benjamin A.; Vetelino, Michael G.; Wang, Guoqiang; Weaver, John D.; Widlicka, Daniel W.; Price Wiglesworth, Kristin E.; Xiao, Jun; Zahn, Todd; Zhang, Yingxin","Evolution of the Synthesis of AMPK Activators for the Treatment of Diabetic Nephropathy: From Three Preclinical Candidates to the Investigational New Drug PF-06409577","Organic Process Research & Development","2018","22","6","681","","10.1021/acs.oprd.8b00059","","","1.54178","CuKα","","0.0362","0.0347","","","0.0876","0.0894","","","","","","1.052","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1552853","5.9578","0.0003","9.7092","0.0005","10.302","0.0006","106.092","0.002","104.979","0.002","94.998","0.001","544.97","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 N2 O3 S -","- C10 H10 N2 O3 S -","- C20 H20 N4 O6 S2 -","2","1","","Luo, Zhongfeng; Liu, Tingting; Guo, Weijie; Wang, Zijia; Huang, Jingjun; Zhu, Yulin; Zeng, Zhuo","N-Acyl-5,5-dimethylhydantoin, a New Mild Acyl-Transfer Reagent in Pd Catalysis: Highly Efficient Synthesis of Functionalized Ketones","Organic Process Research & Development","2018","22","9","1188","","10.1021/acs.oprd.8b00182","","","0.71073","MoKα","","0.0516","0.047","","","0.1289","0.1351","","","","","","1.085","","","","has coordinates","227491","2020-10-21","18:00:00",""
"1554185","14.24","0.005","14.762","0.004","16.651","0.005","90","","107.263","0.004","90","","3342.5","1.8","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 N2 O7 S -","- C34 H40 N2 O7 S -","- C136 H160 N8 O28 S4 -","4","2","","Yamamoto, Kosuke; Ishimaru, Shota; Oyama, Tatsuya; Tanigawa, Satoko; Kuriyama, Masami; Onomura, Osamu","Enantioselective Synthesis of α-Substituted Serine Derivatives via Cu-Catalyzed Oxidative Desymmetrization of 2-Amino-1,3-diols","Organic Process Research & Development","2019","23","4","660","","10.1021/acs.oprd.8b00407","","","0.71075","MoKα","","0.0785","0.0591","","","0.1138","0.1262","","","","","","1.019","","","","has coordinates","236745","2020-10-21","18:00:00",""
"1554186","18.3878","0.0003","12.7469","0.0002","19.6536","0.0003","90","","93.725","0.001","90","","4596.83","0.13","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 I N6 Sn -","- C17 H31 I N6 Sn -","- C136 H248 I8 N48 Sn8 -","8","2","","Akin, Anne; Barilla, Mark T.; Brandt, Thomas A.; Brennan, John; Henegar, Kevin E.; Hoagland, Steve; Kumar, Rajesh; Magano, Javier; McInturff, Emma L.; Nematalla, Asaad; Piotrowski, David W.; Van Haitsma, Jared; Wei, Liuqing; Xiao, Jun; Yu, Shu","Overcoming the Challenges of Making a Single Enantiomer N-1 Substituted Tetrazole Prodrug Using a Tin-Mediated Alkylation and Enzymatic Resolution","Organic Process Research & Development","2019","23","6","1167","","10.1021/acs.oprd.9b00104","","","1.54178","CuKα","","0.0616","0.0582","","","0.1542","0.1577","","","","","","1.035","","","","has coordinates,has disorder","236747","2020-10-21","18:00:00",""
"1554187","11.4365","0.0008","7.5623","0.0005","15.4088","0.0011","90","","110.202","0.002","90","","1250.67","0.15","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H35 B N2 O4 S -","- C24 H35 B N2 O4 S -","- C48 H70 B2 N4 O8 S2 -","2","1","","Kim, Jeongho; Hwang, Chiwon; Kim, Youngmin; Cho, Seung Hwan","Improved Synthesis of β-Aminoboronate Esters via Copper-Catalyzed Diastereo- and Enantioselective Addition of 1,1-Diborylalkanes to Acyclic Arylaldimines","Organic Process Research & Development","2019","23","8","1663","","10.1021/acs.oprd.9b00179","","","0.71073","MoKα","","0.0648","0.0468","","","0.1037","0.113","","","","","","1.025","","","","has coordinates","236749","2020-10-21","18:00:00",""
"1554188","18.908","0.003","17.101","0.002","38.301","0.005","90","","97.4","0.002","90","","12281","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H55 B F24 Fe P2 Pd -","- C61 H55 B F24.006 Fe P2 Pd -","- C488 H440 B8 F192.048 Fe8 P16 Pd8 -","8","1","","Kuwano, Ryoichi; Yokogi, Masashi; Sakai, Ken; Masaoka, Shigeyuki; Miura, Takashi; Won, Sungyong","Room-Temperature Benzylic Alkylation of Benzylic Carbonates: Improvement of Palladium Catalyst and Mechanistic Study","Organic Process Research & Development","2019","23","8","1568","","10.1021/acs.oprd.9b00210","","","0.71073","MoKα","","0.0756","0.0601","","","0.1327","0.1412","","","","","","1.07","","","","has coordinates,has disorder","276324","2022-06-28","14:12:05",""
"1556259","11.1056","0.0002","11.1056","0.0002","11.3593","0.0002","90","","90","","120","","1213.29","0.04","298","2","298","2","","","","","","","","4","P 31","P 31","144","","","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C54 H57 N9 O9 -","3","1","","Sammons, Matthew; Jennings, Sandra M.; Herr, Michael; Hulford, Catherine A.; Wei, Liuqing; Hallissey, James F.; Kiser, E. Jason; Wright, Stephen W.; Piotrowski, David W.","Synthesis of a cis 2,5-Disubstituted Morpholine by De-epimerization: Application to the Multigram Scale Synthesis of a Mineralocorticoid Antagonist","Organic Process Research & Development","2013","17","6","934","","10.1021/op400101p","","","1.54178","CuKα","","0.0552","0.0434","","","0.0828","0.0873","","","","","","0.727","","","","has coordinates","243729","2020-10-21","18:00:00",""
"1557054","16.5305","0.0008","18.7386","0.001","10.5281","0.0006","90","","90","","90","","3261.2","0.3","200","1","200","1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C20 H14 I N -","- C20 H14 I N -","- C160 H112 I8 N8 -","8","1","","Martinez, Thibaut; Alahyen, Ismail; Lemière, Gilles; Mouriès-Mansuy, Virginie; Fensterbank, Louis","Straightforward Access to 2-Iodoindolizines via Iodine-Mediated Cyclization of 2-Pyridylallenes","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00418","","","1.54178","CuKα","","0.0273","0.0262","","","0.0702","0.0715","","","","","","1.042","","","","has coordinates,has disorder","246926","2020-10-21","18:00:00",""
"1557328","6.9821","0.0002","8.6527","0.0003","11.9259","0.0003","90","","105.761","0.001","90","","693.4","0.04","302","2","302","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C30 H32 N4 O8 -","2","1","","Benedetti, Françoise; Perrin, Marc-Antoine; Bosc, Sebastien; Chouteau, Franck; Champion, Nicolas; Bigot, Antony","Total Synthesis of (+)-Oxo-tomaymycin","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00009","","","0.71073","MoKα","","0.0372","0.0349","","","0.1016","0.1044","","","","","","1.061","","","","has coordinates","248246","2020-10-21","18:00:00",""
"1557354","12.599","0.003","9.671","0.002","27.353","0.006","90","","98.957","0.002","90","","3292.2","1.3","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 Cl2 N O P2 Ru S -","- C35 H37 Cl2 N O P2 Ru S -","- C140 H148 Cl8 N4 O4 P8 Ru4 S4 -","4","1","","Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F.","Engineering Catalysts for Selective Ester Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00559","","","0.71073","MoKα","","0.0485","0.035","","","0.0777","0.0823","","","","","","1.177","","","","has coordinates","248352","2020-10-21","18:00:00",""
"1557355","17.8808","0.0015","10.6576","0.0009","19.6658","0.0017","90","","96.36","0.0015","90","","3724.6","0.5","100","1","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H41 Cl2 N O P2 Ru S -","- C41 H41 Cl2 N O P2 Ru S -","- C164 H164 Cl8 N4 O4 P8 Ru4 S4 -","4","1","","Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F.","Engineering Catalysts for Selective Ester Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00559","","","0.71073","MoKα","","0.0828","0.0703","","","0.1638","0.1667","","","","","","2.55","","","","has coordinates","248352","2020-10-21","18:00:00",""
"1557356","11.84","0.02","31.81","0.05","10.563","0.018","90","","111.468","0.018","90","","3702","11","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43 Cl2 N O P2 Ru S -","- C38 H43 Cl2 N O P2 Ru S -","- C152 H172 Cl8 N4 O4 P8 Ru4 S4 -","4","1","","Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F.","Engineering Catalysts for Selective Ester Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00559","","","0.71073","MoKα","","0.1814","0.1235","","","0.2626","0.2766","","","","","","1.593","","","","has coordinates","248352","2020-10-21","18:00:00",""
"1557357","10.2315","0.0019","22.51","0.004","31.197","0.006","90","","90","","90","","7185","2","100","1","100","1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C40 H39 Cl2 N O P2 Ru S -","- C40 H39 Cl2 N O P2 Ru S -","- C320 H312 Cl16 N8 O8 P16 Ru8 S8 -","8","1","","Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F.","Engineering Catalysts for Selective Ester Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00559","","","0.71073","MoKα","","0.0394","0.0299","","","0.0698","0.0734","","","","","","1.167","","","","has coordinates","248352","2020-10-21","18:00:00",""
"1557358","10.4094","0.0009","13.855","0.0011","13.8759","0.0011","72.843","0.001","74.273","0.001","73.643","0.001","1795.8","0.3","100","1","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H39 Cl4 N P2 Ru S -","- C36 H39 Cl4 N P2 Ru S -","- C72 H78 Cl8 N2 P4 Ru2 S2 -","2","1","","Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F.","Engineering Catalysts for Selective Ester Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00559","","","0.71073","MoKα","","0.024","0.0236","","","0.0574","0.0576","","","","","","1.145","","","","has coordinates,has disorder","248352","2020-10-21","18:00:00",""
"1557359","10.1683","0.0007","17.5052","0.0012","20.3353","0.0014","90","","100.513","0.002","90","","3558.9","0.4","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43 Cl2 N P2 Ru S -","- C38 H43 Cl2 N P2 Ru S -","- C152 H172 Cl8 N4 P8 Ru4 S4 -","4","1","","Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F.","Engineering Catalysts for Selective Ester Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00559","","","0.71073","MoKα","","0.0391","0.0368","","","0.1117","0.1131","","","","","","1.984","","","","has coordinates","248352","2020-10-21","18:00:00",""
"1557721","9.2868","0.0002","18.0311","0.0003","22.9054","0.0004","90","","90","","90","","3835.54","0.12","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 F6 Mn N7 O7 S2 -","- C32 H41 F6 Mn N7 O7 S2 -","- C128 H164 F24 Mn4 N28 O28 S8 -","4","1","","Beaver, Matthew G.; Shi, Xianqing; Riedel, Jan; Patel, Parth; Zeng, Alicia; Corbett, Michael T.; Robinson, Jo Anna; Parsons, Andrew T.; Cui, Sheng; Baucom, Kyle; Lovette, Michael A.; Içten, Elçin; Brown, Derek B.; Allian, Ayman; Flick, Tawnya G.; Chen, Wendy; Yang, Ning; Walker, Shawn D.","Continuous Process Improvement in the Manufacture of Carfilzomib, Part 2: An Improved Process for Synthesis of the Epoxyketone Warhead","Organic Process Research & Development","2020","24","4","490","499","10.1021/acs.oprd.0c00052","","","0.71073","MoKα","","0.075","0.0543","","","0.1332","0.148","","","","","","1.056","","","","has coordinates,has disorder","257168","2020-10-21","18:00:00",""
"1558667","20.704","0.002","20.704","0.002","13.5643","0.0016","90","","90","","120","","5035.4","0.9","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24.38 H28.5 F1.5 N3 O5.62 -","- C24.375 H28.5 F1.5 N3 O5.54625 -","- C195 H228 F12 N24 O44.37 -","8","1.33333","","Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00244","","","0.71073","MoKα","","0.0429","0.0414","","","0.1221","0.1245","","","","","","1.021","","","","has coordinates,has disorder","254630","2020-10-21","18:00:00",""
"1558668","12.805","0.003","23.973","0.006","32.637","0.008","90","","90","","90","","10019","4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32.33 H39 F2 N5.67 O7 -","- C32.3333 H39 F2 N5.66667 O7 -","- C388 H468 F24 N68 O84 -","12","3","","Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00244","","","0.71073","MoKα","","0.2198","0.1136","","","0.2034","0.2435","","","","","","1.047","","","","has coordinates","254631","2020-10-21","18:00:00",""
"1558669","20.7","0.003","20.7","0.003","13.6652","0.0017","90","","90","","120","","5070.9","1.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24.75 H29.25 F1.5 N3 O5.62 -","- C24.75 H29.25 F1.5 N3 O5.61825 -","- C198 H234 F12 N24 O44.946 -","8","1.33333","","Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00244","","","0.71073","MoKα","","0.1344","0.0585","","","0.0593","0.0691","","","","","","1.072","","","","has coordinates,has disorder","254632","2020-10-21","18:00:00",""
"1558670","8.6196","0.0007","10.2451","0.0007","12.2006","0.0008","106.432","0.004","94.759","0.004","90.868","0.004","1029.01","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H33 F2 N O4 -","- C20 H33 F2 N O4 -","- C40 H66 F4 N2 O8 -","2","2","","Hill, David R.; Abrahamson, Michael J.; Lukin, Kirill A.; Towne, Timothy B.; Engstrom, Kenneth M.; Reddy, Rajarathnam E.; Kielbus, Angelica B.; Pelc, Matthew J.; Mei, Jianzhang; Nere, Nandkishor K.; Chen, Shuang; Henry, Rodger; Chemburkar, Sanjay; Ding, Chen; Zhang, Hongqiang; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Side Chain and Final Assembly","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00245","","","1.54178","CuKα","","0.0796","0.0493","","","0.1142","0.1285","","","","","","1.05","","","","has coordinates,has disorder","254633","2020-10-21","18:00:00",""
"1558671","9.4358","0.0006","10.0861","0.0006","11.3101","0.0007","94.68","0.003","91.031","0.003","97.524","0.004","1063.11","0.11","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H33 F2 N O4 -","- C20 H33 F2 N O4 -","- C40 H66 F4 N2 O8 -","2","2","","Hill, David R.; Abrahamson, Michael J.; Lukin, Kirill A.; Towne, Timothy B.; Engstrom, Kenneth M.; Reddy, Rajarathnam E.; Kielbus, Angelica B.; Pelc, Matthew J.; Mei, Jianzhang; Nere, Nandkishor K.; Chen, Shuang; Henry, Rodger; Chemburkar, Sanjay; Ding, Chen; Zhang, Hongqiang; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Side Chain and Final Assembly","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00245","","","1.54178","CuKα","","0.1154","0.0723","","","0.1777","0.2225","","","","","","1.15","","","","has coordinates","254634","2020-10-21","18:00:00",""
"1558672","8.6295","0.0005","10.2499","0.0005","12.1993","0.0007","106.366","0.003","94.675","0.003","90.873","0.003","1031.06","0.1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H33 F2 N O4 -","- C20 H33 F2 N O4 -","- C40 H66 F4 N2 O8 -","2","2","","Hill, David R.; Abrahamson, Michael J.; Lukin, Kirill A.; Towne, Timothy B.; Engstrom, Kenneth M.; Reddy, Rajarathnam E.; Kielbus, Angelica B.; Pelc, Matthew J.; Mei, Jianzhang; Nere, Nandkishor K.; Chen, Shuang; Henry, Rodger; Chemburkar, Sanjay; Ding, Chen; Zhang, Hongqiang; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Side Chain and Final Assembly","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00245","","","1.54178","CuKα","","0.045","0.0376","","","0.083","0.0866","","","","","","1.094","","","","has coordinates,has disorder","254635","2020-10-21","18:00:00",""
"1558891","7.1184","0.0008","28.602","0.003","5.6452","0.0007","90","","90","","90","","1149.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","1-((2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl) -3-methyltetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H) -dione hemihydrate","","- C10 H15 N2 O6.5 -","- C10 H15 N2 O6.5 -","- C40 H60 N8 O26 -","4","1","","Dance, Zachary E. X.; Crawford, Morgan; Moment, Aaron; Brunskill, Andrew; Wabuyele, Busolo","Kinetics, Thermodynamics, and Scale-Up of an Azeotropic Drying Process: Mapping Rapid Phase Conversion with Process Analytical Technology","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00275","","","1.54178","CuKα","","0.0314","0.0309","","","0.0809","0.0814","","","","","","1.109","","","","has coordinates","255565","2020-10-21","18:00:00",""
"1558892","7.2564","0.0006","10.1171","0.0008","17.2505","0.0014","90","","90","","90","","1266.42","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-((2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl) -3-methyltetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H) -dione dihydrate","","- C10 H18 N2 O8 -","- C10 H18 N2 O8 -","- C40 H72 N8 O32 -","4","1","","Dance, Zachary E. X.; Crawford, Morgan; Moment, Aaron; Brunskill, Andrew; Wabuyele, Busolo","Kinetics, Thermodynamics, and Scale-Up of an Azeotropic Drying Process: Mapping Rapid Phase Conversion with Process Analytical Technology","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00275","","","1.54178","CuKα","","0.0226","0.0226","","","0.0602","0.0602","","","","","","1.079","","","","has coordinates","255566","2020-10-21","18:00:00",""
"1558893","7.1273","0.0004","9.0099","0.0005","17.154","0.0009","90","","90","","90","","1101.57","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-((2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl) -3-methyltetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione","","- C10 H14 N2 O6 -","- C10 H14 N2 O6 -","- C40 H56 N8 O24 -","4","1","","Dance, Zachary E. X.; Crawford, Morgan; Moment, Aaron; Brunskill, Andrew; Wabuyele, Busolo","Kinetics, Thermodynamics, and Scale-Up of an Azeotropic Drying Process: Mapping Rapid Phase Conversion with Process Analytical Technology","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00275","","","1.54178","CuKα","","0.0219","0.0218","","","0.0572","0.0573","","","","","","1.045","","","","has coordinates","255567","2020-10-21","18:00:00",""
"1559089","10.4344","0.0002","12.4456","0.0003","16.3498","0.0004","90","","96.795","0.002","90","","2108.31","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Cl Ir N O -","- C22 H30 Cl Ir N O -","- C88 H120 Cl4 Ir4 N4 O4 -","4","1","","Shimizu, Hideo; Maeda, Hironori; Nara, Hideki","Highly Productive α-Alkylation of Ketones with Alcohols Mediated by an Ir‒Oxalamidato/Solid Base Catalyst System","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00362","","x-ray","0.71073","MoKα","","0.0336","0.0253","","","0.0535","0.0561","","","","","","1.021","","","","has coordinates","256434","2020-10-21","18:00:00",""
"1559090","8.6176","0.0002","9.8322","0.0003","26.348","0.0008","90","","96.471","0.003","90","","2218.24","0.11","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl Ir N O2 -","- C22 H30 Cl Ir N O2 -","- C88 H120 Cl4 Ir4 N4 O8 -","4","1","","Shimizu, Hideo; Maeda, Hironori; Nara, Hideki","Highly Productive α-Alkylation of Ketones with Alcohols Mediated by an Ir‒Oxalamidato/Solid Base Catalyst System","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00362","","x-ray","0.71073","MoKα","","0.0426","0.0321","","","0.065","0.0706","","","","","","1.062","","","","has coordinates","256435","2020-10-21","18:00:00",""
"1559096","20.0884","0.0009","7.2756","0.0003","20.7899","0.0009","90","","99.331","0.003","90","","2998.3","0.2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 B Br F3 N2 O2 -","- C11 H15 B Br F3 N2 O2 -","- C88 H120 B8 Br8 F24 N16 O16 -","8","1","","Tairov, Maxim A.; Levchenko, Vitalina; Stadniy, Ivan A.; Dmytriv, Yurii V.; Dehtiarov, Serhii O.; Kibalnyi, Mykola O.; Melnyk, Anton V.; Veselovych, Stanislav Y.; Borodulin, Yurii V.; Kolotilov, Sergey V.; Ryabukhin, Sergey V.; Volochnyuk, Dmitriy M.","Practical Synthetic Method for Functionalized 1-Methyl-3/5-(trifluoromethyl)-1H-pyrazoles","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00300","","","0.71073","MoKα","","0.093","0.0434","","","0.0839","0.1005","","","","","","1.01","","","","has coordinates","256473","2020-10-21","18:00:00",""
"1559125","6.5143","0.0007","26.599","0.003","7.9568","0.0008","90","","101.771","0.008","90","","1349.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 N5 O4 P -","- C11 H18 N5 O4 P -","- C44 H72 N20 O16 P4 -","4","1","","Connor, Christina G.; DeForest, Jacob C.; Dietrich, Phil; Do, Nga M.; Doyle, Kevin M.; Eisenbeis, Shane; Greenberg, Elizabeth; Griffin, Sarah H.; Jones, Brian P.; Jones, Kris N.; Karmilowicz, Michael; Kumar, Rajesh; Lewis, Chad A.; McInturff, Emma L.; McWilliams, J. Christopher; Mehta, Ruchi; Nguyen, Bao D.; Rane, Anil M.; Samas, Brian; Sitter, Barbara J.; Ward, Howard W.; Webster, Mark E.","Development of a Nitrene-Type Rearrangement for the Commercial Route of the JAK1 Inhibitor Abrocitinib","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00366","","","1.54178","CuKα","","0.0791","0.0545","","","0.0835","0.0866","","","","","","1.721","","","","has coordinates","256565","2020-10-21","18:00:00",""
"1559378","22.5044","0.0008","8.2479","0.0003","16.3708","0.0006","90","","126.325","0.0011","90","","2448.15","0.16","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-bromo-2-isopropylphenol hemi-1,4-diazabicyclo[2.2.2]octane cocrystal","","- C12 H17 Br N O -","- C12 H17 Br N O -","- C96 H136 Br8 N8 O8 -","8","1","","Peng, Feng; Humphrey, Guy R.; Maloney, Kevin M.; Lehnherr, Dan; Weisel, Mark; Lévesque, Francois; Naber, John R.; Brunskill, Andrew P. J.; Larpent, Patrick; Zhang, Si-Wei; Lee, Alfred Y.; Arvary, Rebecca A.; Lee, Claire H.; Bishara, Daniel; Narsimhan, Karthik; Sirota, Eric; Whittington, Michael","Development of a Green and Sustainable Manufacturing Process for Gefapixant Citrate (MK-7264) Part 2: Development of a Robust Process for Phenol Synthesis","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00241","","","1.54178","CuKα","","0.0218","0.0209","","","0.0534","0.054","","","","","","1.063","","","","has coordinates","258455","2020-10-21","18:00:00",""
"1559548","16.2421","0.0011","5.0967","0.0004","30.102","0.002","90","","90","","90","","2491.9","0.3","295","2","295.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H15 Br F N O -","- C13 H15 Br F N O -","- C104 H120 Br8 F8 N8 O8 -","8","2","","Leung, Joyce C.; Nguyen, Thach T.; Krawiec, Mariusz; Gao, Donghong A.; Reeves, Jonathan T.","Development of a Scalable Synthesis of trans-4-Fluorocyclohexylamine via Directed Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00444","","x-ray","1.54178","CuKα","","0.0764","0.0758","","","0.1923","0.1928","","","","","","1.102","","","","has coordinates","259240","2020-11-25","00:50:03",""
"1559553","12.0049","0.0008","17.7292","0.0012","35.641","0.002","90","","90","","90","","7585.7","0.8","173","2","173","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C39 H42 Br Cl N2 O6 S -","- C39 H42 Br Cl N2 O6 S -","- C312 H336 Br8 Cl8 N16 O48 S8 -","8","1","","St-Pierre, Gabrielle; Cherney, Alan H.; Chen, Wencan; Dong, Xiaofei; Dornan, Peter K.; Griffin, Daniel J.; Houk, K. N.; Lin, Janice B.; Osgood, Stephen; Silva Elipe, Maria V.; Timmons, Heath C.; Xie, Yong; Tedrow, Jason S.; Thiel, Oliver R.; Smith, Austin G.","Accelerated Development of a Scalable Ring-Closing Metathesis to Manufacture AMG 176 Using a Combined High-Throughput Experimentation and Computational Modeling Approach","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00416","","","0.71073","MoKα","","0.0778","0.0451","","","0.0827","0.0944","","","","","","1.005","","","","has coordinates","259254","2020-11-26","00:48:38",""
"1561044","9.7957","0.0005","14.9403","0.0008","30.1708","0.0015","90","","90","","90","","4415.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","compound-31","(3aR,3'aR,9bR,9'bR)-3-((R)-tert-butylsulfinyl)- 3'-(tert-butylsulfinyl)-8,8'-difluoro-9b,9'b-bis(phenylsulfonyl) -2,2',3,3a,3',3'a,4,4',5,5',9b,9'b-dodecahydro-1H,1'H-7,7'-bibenzo[e]indole","","- C44 H50 F2 N2 O6 S4 -","- C44 H50 F2 N2 O6 S4 -","- C176 H200 F8 N8 O24 S16 -","4","1","","Karmakar, Ananta; Nimje, Roshan Y.; Silamkoti, Arundutt; Pitchai, Manivel; Basha, Mushkin; Singarayer, Christuraj; Ramasamy, Duraisamy; Babu, G. T. Venkatesh; Samikannu, Ramesh; Subramaniam, Srinath; Anjanappa, Prakash; Vetrichelvan, Muthalagu; Kumar, Hemantha; Dikundwar, Amol G.; Gupta, Anuradha; Gupta, Arun Kumar; Rampulla, Richard; Dhar, T. G. Murali; Mathur, Arvind","Practical Synthesis of (3aR, 9bR)-8-Fluoro-7-(perfluoropropan-2-yl)-9b-(phenylsulfonyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole: An Advanced Intermediate to Access the RORγt Inverse Agonist BMT-362265","Organic Process Research & Development","2021","","","","","10.1021/acs.oprd.1c00019","","x-ray","0.71073","MoKα","","0.0852","0.046","","","0.0946","0.1062","","","","","","0.999","","","","has coordinates","263068","2021-03-17","00:48:39",""
"1563712","9.5141","0.0005","30.3107","0.0017","11.2831","0.0006","90","","114.793","0.003","90","","2953.9","0.3","273.15","","273.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H34 Cl N7 O7 S -","- C26 H34 Cl N7 O7 S -","- C104 H136 Cl4 N28 O28 S4 -","4","2","","Mondal, Pradip Kumar; Mirmehrabi, Mahmoud; Rohani, Sohrab","Insight into the Formation of Heteromolecular Hydrogen Bonds between Dasatinib and GRAS Molecules","Organic Process Research & Development","2021","","","","","10.1021/acs.oprd.0c00549","","","1.54178","CuKα","","0.0986","0.0668","","","0.165","0.187","","","","","","1.063","","","","has coordinates","275434","2022-05-16","05:31:58",""