Information card for entry 8100078

Structure parameters

• Formula: C22 H20 Br N O3
• Calculated formula: C22 H20 Br N O3
• SMILES: Brc1ccc([C@@H](Nc2ccccc2)[C@](O)(C(=O)OC)c2ccccc2)cc1.Brc1ccc([C@H](Nc2ccccc2)[C@@](O)(C(=O)OC)c2ccccc2)cc1
• Title of publication: Crystal structure of methyl-2-hydroxy-2-phenyl-3-(4-bromophenyl)-3- phenylamino-propanoate, C~22~H~20~BrNO~3~
• Authors of publication: Malpezzi, Luciana
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 2
• Pages of publication: 197 - 198
• a: 17.643 ± 0.001 Å
• b: 5.935 ± 0.001 Å
• c: 18.782 ± 0.001 Å
• α: 90°
• β: 90.13 ± 0.01°
• γ: 90°
• Cell volume: 1966.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No