Crystallography Open Database

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Searching journal of publication like 'Organic Process Research & Development'

COD ID: 1502622
CIF file Formula: - C18 H25 Cl N O2.5 -
Comments: 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 15(3) (2011) 666
Space group: P 21 21 21
Cell volume: 3395.7
Cell parameters: 6.9608; 15.583; 31.3056; 90; 90; 90;  

COD ID: 1502623
CIF file Formula: - C74 H84 Cl2 N6 P2 Ru -
Comments: 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 15(5) (2011) 1178
Space group: C 1 2 1
Cell volume: 15268
Cell parameters: 24.264; 24.798; 26.166; 90; 104.12; 90;  

COD ID: 1503438
CIF file Formula: - C23 H28 N2 O3 -
Comments: 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 14(1) (2010) 133
Space group: P 21 21 21
Cell volume: 2090.36
Cell parameters: 6.3734; 12.5913; 26.0483; 90; 90; 90;  

COD ID: 1503630
CIF file Formula: - C35 H46 Br2 N2 O15 -
Comments: 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 16(2) (2012) 286
Space group: P 31 1 2
Cell volume: 3361.7
Cell parameters: 11.299; 11.299; 30.405; 90; 90; 120;  

COD ID: 1503631
CIF file Formula: - C28 H32 Cl2 N2 O8 -
Comments: 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 16(2) (2012) 286
Space group: P 1
Cell volume: 723.6
Cell parameters: 5.7819; 9.6587; 13.317; 79.109; 82.475; 86.782;  

COD ID: 1504315
CIF file Formula: - C28 H25 N3 O5 S -
Comments: 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 13(3) (2009) 450
Space group: P 21 21 21
Cell volume: 2473.1
Cell parameters: 9.0929; 12.3452; 22.031; 90; 90; 90;  

COD ID: 1504316
CIF file Formula: - C9 H9 N O3 -
Comments: 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 13(2) (2009) 198
Space group: P b c a
Cell volume: 3321
Cell parameters: 16.163; 8.953; 22.95; 90; 90; 90;  

COD ID: 1504317
CIF file Formula: - C9 H9 N O3 -
Comments: 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 13(2) (2009) 198
Space group: C 1 2/c 1
Cell volume: 3296
Cell parameters: 16.038; 14.67; 15.634; 90; 116.362; 90;  

COD ID: 1504318
CIF file Formula: - C21 H33 N O7 S -
Comments: 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 13(2) (2009) 209
Space group: P 21 21 21
Cell volume: 2168.23
Cell parameters: 6.0017; 12.0689; 29.9339; 90; 90; 90;  

COD ID: 1504319
CIF file Formula: - C9 H10 Cl N O -
Comments: 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 13(6) (2009) 1231
Space group: P b c a
Cell volume: 1759.77
Cell parameters: 9.4251; 9.2575; 20.1686; 90; 90; 90;  

COD ID: 1504320
CIF file Formula: - C11 H14 Cl N O -
Comments: 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 13(6) (2009) 1231
Space group: P b c a
Cell volume: 2238.28
Cell parameters: 9.7381; 10.0151; 22.9501; 90; 90; 90;  

COD ID: 1504321
CIF file Formula: - C11 H15 N O -
Comments: 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 13(6) (2009) 1231
Space group: C 1 2/c 1
Cell volume: 4027.3
Cell parameters: 42.887; 5.1367; 19.263; 90; 108.372; 90;  

COD ID: 1504322
CIF file Formula: - C7 H6 Br N O -
Comments: 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 13(6) (2009) 1231
Space group: P 1 21/c 1
Cell volume: 715.1
Cell parameters: 9.1595; 11.8459; 6.6063; 90; 93.952; 90;  

COD ID: 1504323
CIF file Formula: - C7 H6 Br N O -
Comments: 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 13(6) (2009) 1231
Space group: P b c a
Cell volume: 1439.43
Cell parameters: 10.848; 9.8017; 13.5375; 90; 90; 90;  

COD ID: 1504324
CIF file Formula: - C8 H6 F3 N O -
Comments: 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 13(6) (2009) 1231
Space group: P -1
Cell volume: 821.03
Cell parameters: 7.1142; 10.3129; 12.2349; 77.686; 79.631; 70.525;  

COD ID: 1504997
CIF file Formula: - C30 H27 N3 O3 -
Comments: 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 12(3) (2008) 447
Space group: C 1 2/c 1
Cell volume: 5019.96
Cell parameters: 52.7951; 7.8456; 12.2836; 90; 99.379; 90;  

COD ID: 1504998
CIF file Formula: - C34 H63 Cl N7 O20.5 -
Comments: 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 12(3) (2008) 447
Space group: P 32 2 1
Cell volume: 7219.94
Cell parameters: 13.3413; 13.3413; 46.8389; 90; 90; 120;  

COD ID: 1504999
CIF file Formula: - C21 H27 N5 -
Comments: 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 12(5) (2008) 823
Space group: P 21 21 21
Cell volume: 1938.6
Cell parameters: 7.9047; 13.4494; 18.2343; 90; 90; 90;  

COD ID: 1505668
CIF file Formula: - C22 H17 F4 N3 O5 S -
Comments: 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 11(3) (2007) 389
Space group: P -1
Cell volume: 1048.9
Cell parameters: 8.2971; 9.7116; 14.452; 81; 81.81; 66.27;  

COD ID: 1505669
CIF file Formula: - C18 H12 F8 N2 O7 S -
Comments: 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 11(3) (2007) 389
Space group: P -1
Cell volume: 1032.7
Cell parameters: 8.6649; 9.1625; 14.151; 79.77; 74.02; 74.16;  

COD ID: 1505670
CIF file Formula: - C17 H17 F2 N O6 S -
Comments: 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 11(3) (2007) 389
Space group: P 1 21/c 1
Cell volume: 3353.2
Cell parameters: 24.528; 7.134; 21.125; 90; 114.89; 90;  

COD ID: 1505671
CIF file Formula: - C16 H15 F2 N O4 S -
Comments: 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 11(3) (2007) 389
Space group: P -1
Cell volume: 768.7
Cell parameters: 8.8361; 9.6639; 10.439; 101.76; 99.69; 113.51;  

COD ID: 1505672
CIF file Formula: - C16 H29 Cl N4 O4 -
Comments: 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 11(4) (2007) 693
Space group: I 41/a :2
Cell volume: 7863
Cell parameters: 30.683; 30.683; 8.352; 90; 90; 90;  

COD ID: 1505673
CIF file Formula: - C69 H71 N2 O11 S2 -
Comments: 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 11(6) (2007) 1043
Space group: P 1 21 1
Cell volume: 3067.2
Cell parameters: 17.36; 9.944; 18.696; 90; 108.13; 90;  

COD ID: 1506789
CIF file Formula: - C21 H21 N O2 S -
Comments: Frigoli, Samuele; Fuganti, Claudio; Malpezzi, Luciana; Serra, Stefano A Practical and Efficient Process for the Preparation of Tazarotene Organic Process Research & Development 9(5) (2005) 646
Space group: P 1 21/n 1
Cell volume: 1859.3
Cell parameters: 8.879; 9.416; 22.361; 90; 95.98; 90;  

COD ID: 1506790
CIF file Formula: - C15 H16 N2 O3 -
Comments: 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 9(6) (2005) 902
Space group: P 1 21/c 1
Cell volume: 1358.3
Cell parameters: 10.066; 28.719; 4.831; 90; 103.45; 90;  

COD ID: 1507417
CIF file Formula: - C31 H22 N P -
Comments: 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 7(3) (2003) 379
Space group: P 1 21 1
Cell volume: 1160
Cell parameters: 9.3582; 11.2325; 11.0655; 90; 94.2238; 90;  

COD ID: 1507418
CIF file Formula: - C12 H23 N2 O4 P -
Comments: 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 7(6) (2003) 925-928
Space group: P -1
Cell volume: 781.5
Cell parameters: 8.646; 8.761; 11.811; 109.19; 105.72; 99.38;  

COD ID: 1519691
CIF file Formula: - C28 H52 N2 Zr -
Comments: 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 19(10) (2015) 1383
Space group: P -1
Cell volume: 2914.4
Cell parameters: 9.7837; 17.3161; 17.4313; 80.898; 88.203; 89.242;  

COD ID: 1519692
CIF file Formula: - C25 H23 N5 O3 -
Comments: 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 19(12) (2015) 1849
Space group: P n a 21
Cell volume: 2227.32
Cell parameters: 14.8632; 7.9124; 18.9392; 90; 90; 90;  

COD ID: 1519693
CIF file Formula: - C25 H23 N5 O3 -
Comments: 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 19(12) (2015) 1849
Space group: P 1 21/c 1
Cell volume: 2180.7
Cell parameters: 18.0735; 12.3153; 9.8022; 90; 91.823; 90;  

COD ID: 1520611
CIF file Formula: - C22 H23 F N6 O5 -
Comments: 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 19(12) (2015) 1882
Space group: P 1 21/c 1
Cell volume: 2362.04
Cell parameters: 13.8135; 13.3386; 14.0876; 90; 114.496; 90;  

COD ID: 1520612
CIF file Formula: - C25 H29 F N6 O8 -
Comments: 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 19(12) (2015) 1882
Space group: P 21 21 21
Cell volume: 2614.2
Cell parameters: 9.4933; 11.2461; 24.486; 90; 90; 90;  

COD ID: 1520613
CIF file Formula: - C25 H29 F N6 O8 -
Comments: 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 19(12) (2015) 1882
Space group: P 1 21/n 1
Cell volume: 2665.73
Cell parameters: 11.2744; 9.4324; 25.6466; 90; 102.205; 90;  

COD ID: 1530688
CIF file Formula: - C36 H53 N3 O4 S -
Comments: 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 19(11) (2015) 1693
Space group: P 1 2 1
Cell volume: 3709.4
Cell parameters: 20.4743; 8.7109; 22.4995; 90; 112.422; 90;  

COD ID: 1530689
CIF file Formula: - C29 H49 Cl N2 O3 S -
Comments: 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 19(11) (2015) 1693
Space group: P 61
Cell volume: 5346.1
Cell parameters: 21.0551; 21.0551; 13.925; 90; 90; 120;  

COD ID: 1530690
CIF file Formula: - C38 H60.5 Br N2 O5.25 S2 -
Comments: 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 19(11) (2015) 1693
Space group: P 1 21 1
Cell volume: 3856.9
Cell parameters: 7.378; 14.3067; 36.57; 90; 92.36; 90;  

COD ID: 1532833
CIF file Formula: - C21 H28 N2 O4 -
Comments: 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 19(10) (2015) 1418
Space group: P 21 21 21
Cell volume: 3937
Cell parameters: 8.7278; 9.6635; 46.6791; 90; 90; 90;  

COD ID: 1540389
CIF file Formula: - C19 H24 F2 N3 Na O7 S -
Comments: 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 19(11) (2015) 1752
Space group: P 1 21/c 1
Cell volume: 2365.1
Cell parameters: 15.929; 10.828; 13.718; 90; 91.62; 90;  

COD ID: 1542332
CIF file Formula: - C16 H17 O4 P -
Comments: Bigler, Raphael; Mezzetti, Antonio Highly Enantioselective Transfer Hydrogenation of Polar Double Bonds by Macrocyclic Iron(II)/(NH)2P2Catalysts Organic Process Research & Development 20(2) (2016) 253
Space group: P 1 21 1
Cell volume: 743.81
Cell parameters: 8.4621; 10.291; 8.8558; 90; 105.314; 90;  

COD ID: 1542333
CIF file Formula: - C32 H32 O6 P2 -
Comments: Bigler, Raphael; Mezzetti, Antonio Highly Enantioselective Transfer Hydrogenation of Polar Double Bonds by Macrocyclic Iron(II)/(NH)2P2Catalysts Organic Process Research & Development 20(2) (2016) 253
Space group: P 1
Cell volume: 677.2
Cell parameters: 8.4358; 8.6021; 9.8323; 104.212; 98.226; 96.026;  

COD ID: 1542352
CIF file Formula: - C52 H72 N4 O19 -
Comments: 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 20(2) (2016) 233
Space group: P 1
Cell volume: 2558.26
Cell parameters: 11.4197; 15.8645; 16.2611; 66.72; 86.95; 71.548;  

COD ID: 1542985
CIF file Formula: - C40 H68 Ca2 N16 O24 S4 -
Comments: 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 20(4) (2016) 780
Space group: P 1 21 1
Cell volume: 3043.5
Cell parameters: 13.85; 15.604; 14.083; 90; 90.44; 90;  

COD ID: 1545004
CIF file Formula: - C16 H18 F2 I N O3 -
Comments: 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 20(12) (2016) 2074
Space group: P 21 21 21
Cell volume: 1707.5
Cell parameters: 5.1315; 14.049; 23.6852; 90; 90; 90;  

COD ID: 1546762
CIF file Formula: - C11 H14 N2 O5 S2 -
Comments: 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 21(7) (2017) 1034
Space group: P b c a
Cell volume: 2800.2
Cell parameters: 9.411; 14.986; 19.855; 90; 90; 90;  

COD ID: 1547550
CIF file Formula: - C43 H65 F N6 O10 -
Comments: 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 21(9) (2017) 1371
Space group: P 21 21 21
Cell volume: 4600.89
Cell parameters: 8.6067; 19.0255; 28.0976; 90; 90; 90;  

COD ID: 1548361
CIF file Formula: - C8 H12 O4 -
Comments: 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 21(12) (2017) 2012
Space group: P 1 21/c 1
Cell volume: 857.8
Cell parameters: 5.3618; 15.15; 10.5728; 90; 92.826; 90;  

COD ID: 1552848
CIF file Formula: - C26 H25 Cl N2 O3 -
Comments: 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 22(10) (2018) 1365
Space group: P 1 21/n 1
Cell volume: 2328.13
Cell parameters: 7.52; 38.53; 8.44; 90; 107.82; 90;  

COD ID: 1552849
CIF file Formula: - C16 H21 N O2 -
Comments: 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 22(10) (2018) 1365
Space group: P 21 21 21
Cell volume: 1365.08
Cell parameters: 4.99; 11.92; 22.95; 90; 90; 90;  

COD ID: 1552850
CIF file Formula: - C16 H21 N O2 -
Comments: 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 22(10) (2018) 1365
Space group: P 21 21 21
Cell volume: 1452.6
Cell parameters: 5.045; 12.4178; 23.187; 90; 90; 90;  

COD ID: 1552851
CIF file Formula: - C26 H25 Cl N2 O3 -
Comments: 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 22(10) (2018) 1365
Space group: P 1 21/n 1
Cell volume: 2359.1
Cell parameters: 7.627; 38.007; 8.5629; 90; 108.118; 90;  

COD ID: 1552852
CIF file Formula: - C20 H17 F2 N O3 -
Comments: 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 22(6) (2018) 681
Space group: P 1 21 1
Cell volume: 1692.89
Cell parameters: 10.0671; 10.4134; 16.284; 90; 97.398; 90;  

COD ID: 1552853
CIF file Formula: - C10 H10 N2 O3 S -
Comments: 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 22(9) (2018) 1188
Space group: P -1
Cell volume: 544.97
Cell parameters: 5.9578; 9.7092; 10.302; 106.092; 104.979; 94.998;  

COD ID: 1554185
CIF file Formula: - C34 H40 N2 O7 S -
Comments: 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 23(4) (2019) 660
Space group: P 1 21 1
Cell volume: 3342.5
Cell parameters: 14.24; 14.762; 16.651; 90; 107.263; 90;  

COD ID: 1554186
CIF file Formula: - C17 H31 I N6 Sn -
Comments: 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 23(6) (2019) 1167
Space group: P 1 21/n 1
Cell volume: 4596.83
Cell parameters: 18.3878; 12.7469; 19.6536; 90; 93.725; 90;  

COD ID: 1554187
CIF file Formula: - C24 H35 B N2 O4 S -
Comments: 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 23(8) (2019) 1663
Space group: P 1 21 1
Cell volume: 1250.67
Cell parameters: 11.4365; 7.5623; 15.4088; 90; 110.202; 90;  

COD ID: 1554188
CIF file Formula: - C61 H55 B F24 Fe P2 Pd -
Comments: 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 23(8) (2019) 1568
Space group: C 1 2/c 1
Cell volume: 12281
Cell parameters: 18.908; 17.101; 38.301; 90; 97.4; 90;  

COD ID: 1556259
CIF file Formula: - C18 H19 N3 O3 -
Comments: 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 17(6) (2013) 934
Space group: P 31
Cell volume: 1213.29
Cell parameters: 11.1056; 11.1056; 11.3593; 90; 90; 120;  

COD ID: 1557054
CIF file Formula: - C20 H14 I N -
Comments: 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)
Space group: P c c n
Cell volume: 3261.2
Cell parameters: 16.5305; 18.7386; 10.5281; 90; 90; 90;  

COD ID: 1557328
CIF file Formula: - C15 H16 N2 O4 -
Comments: Benedetti, Françoise; Perrin, Marc-Antoine; Bosc, Sebastien; Chouteau, Franck; Champion, Nicolas; Bigot, Antony Total Synthesis of (+)-Oxo-tomaymycin Organic Process Research & Development (2020)
Space group: P 1 21 1
Cell volume: 693.4
Cell parameters: 6.9821; 8.6527; 11.9259; 90; 105.761; 90;  

COD ID: 1557354
CIF file Formula: - C35 H37 Cl2 N O P2 Ru S -
Comments: 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)
Space group: P 1 21/c 1
Cell volume: 3292.2
Cell parameters: 12.599; 9.671; 27.353; 90; 98.957; 90;  

COD ID: 1557355
CIF file Formula: - C41 H41 Cl2 N O P2 Ru S -
Comments: 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)
Space group: P 1 21/n 1
Cell volume: 3724.6
Cell parameters: 17.8808; 10.6576; 19.6658; 90; 96.36; 90;  

COD ID: 1557356
CIF file Formula: - C38 H43 Cl2 N O P2 Ru S -
Comments: 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)
Space group: P 1 21/c 1
Cell volume: 3702
Cell parameters: 11.84; 31.81; 10.563; 90; 111.468; 90;  

COD ID: 1557357
CIF file Formula: - C40 H39 Cl2 N O P2 Ru S -
Comments: 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)
Space group: P b c a
Cell volume: 7185
Cell parameters: 10.2315; 22.51; 31.197; 90; 90; 90;  

COD ID: 1557358
CIF file Formula: - C36 H39 Cl4 N P2 Ru S -
Comments: 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)
Space group: P -1
Cell volume: 1795.8
Cell parameters: 10.4094; 13.855; 13.8759; 72.843; 74.273; 73.643;  

COD ID: 1557359
CIF file Formula: - C38 H43 Cl2 N P2 Ru S -
Comments: 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)
Space group: P 1 21/c 1
Cell volume: 3558.9
Cell parameters: 10.1683; 17.5052; 20.3353; 90; 100.513; 90;  

COD ID: 1557721
CIF file Formula: - C32 H41 F6 Mn N7 O7 S2 -
Comments: 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 24(4) (2020) 490-499
Space group: P 21 21 21
Cell volume: 3835.54
Cell parameters: 9.2868; 18.0311; 22.9054; 90; 90; 90;  

COD ID: 1558667
CIF file Formula: - C24.38 H28.5 F1.5 N3 O5.62 -
Comments: 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)
Space group: P 31 2 1
Cell volume: 5035.4
Cell parameters: 20.704; 20.704; 13.5643; 90; 90; 120;  

COD ID: 1558668
CIF file Formula: - C32.33 H39 F2 N5.67 O7 -
Comments: 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)
Space group: P 21 21 21
Cell volume: 10019
Cell parameters: 12.805; 23.973; 32.637; 90; 90; 90;  

COD ID: 1558669
CIF file Formula: - C24.75 H29.25 F1.5 N3 O5.62 -
Comments: 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)
Space group: P 31 2 1
Cell volume: 5070.9
Cell parameters: 20.7; 20.7; 13.6652; 90; 90; 120;  

COD ID: 1558670
CIF file Formula: - C20 H33 F2 N O4 -
Comments: 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)
Space group: P 1
Cell volume: 1029.01
Cell parameters: 8.6196; 10.2451; 12.2006; 106.432; 94.759; 90.868;  

COD ID: 1558671
CIF file Formula: - C20 H33 F2 N O4 -
Comments: 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)
Space group: P 1
Cell volume: 1063.11
Cell parameters: 9.4358; 10.0861; 11.3101; 94.68; 91.031; 97.524;  

COD ID: 1558672
CIF file Formula: - C20 H33 F2 N O4 -
Comments: 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)
Space group: P 1
Cell volume: 1031.06
Cell parameters: 8.6295; 10.2499; 12.1993; 106.366; 94.675; 90.873;  

COD ID: 1558891
CIF file Formula: - C10 H15 N2 O6.5 -
Comments: 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)
Space group: P 21 21 2
Cell volume: 1149.4
Cell parameters: 7.1184; 28.602; 5.6452; 90; 90; 90;  

COD ID: 1558892
CIF file Formula: - C10 H18 N2 O8 -
Comments: 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)
Space group: P 21 21 21
Cell volume: 1266.42
Cell parameters: 7.2564; 10.1171; 17.2505; 90; 90; 90;  

COD ID: 1558893
CIF file Formula: - C10 H14 N2 O6 -
Comments: 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)
Space group: P 21 21 21
Cell volume: 1101.57
Cell parameters: 7.1273; 9.0099; 17.154; 90; 90; 90;  

COD ID: 1559089
CIF file Formula: - C22 H30 Cl Ir N O -
Comments: 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)
Space group: P 1 21/c 1
Cell volume: 2108.31
Cell parameters: 10.4344; 12.4456; 16.3498; 90; 96.795; 90;  

COD ID: 1559090
CIF file Formula: - C22 H30 Cl Ir N O2 -
Comments: 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)
Space group: P 1 21/n 1
Cell volume: 2218.24
Cell parameters: 8.6176; 9.8322; 26.348; 90; 96.471; 90;  

COD ID: 1559096
CIF file Formula: - C11 H15 B Br F3 N2 O2 -
Comments: 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)
Space group: C 1 2/c 1
Cell volume: 2998.3
Cell parameters: 20.0884; 7.2756; 20.7899; 90; 99.331; 90;  

COD ID: 1559125
CIF file Formula: - C11 H18 N5 O4 P -
Comments: 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)
Space group: P 1 21/c 1
Cell volume: 1349.7
Cell parameters: 6.5143; 26.599; 7.9568; 90; 101.771; 90;  

COD ID: 1559378
CIF file Formula: - C12 H17 Br N O -
Comments: 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)
Space group: C 1 2/c 1
Cell volume: 2448.15
Cell parameters: 22.5044; 8.2479; 16.3708; 90; 126.325; 90;  

COD ID: 1559548
CIF file Formula: - C13 H15 Br F N O -
Comments: 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)
Space group: P c a 21
Cell volume: 2491.9
Cell parameters: 16.2421; 5.0967; 30.102; 90; 90; 90;  

COD ID: 1559553
CIF file Formula: - C39 H42 Br Cl N2 O6 S -
Comments: 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)
Space group: C 2 2 21
Cell volume: 7585.7
Cell parameters: 12.0049; 17.7292; 35.641; 90; 90; 90;  

COD ID: 1561044
CIF file Formula: - C44 H50 F2 N2 O6 S4 -
Comments: 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)
Space group: P 21 21 21
Cell volume: 4415.5
Cell parameters: 9.7957; 14.9403; 30.1708; 90; 90; 90;  

COD ID: 1563712
CIF file Formula: - C26 H34 Cl N7 O7 S -
Comments: 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)
Space group: P 1 21 1
Cell volume: 2953.9
Cell parameters: 9.5141; 30.3107; 11.2831; 90; 114.793; 90;  


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