Information card for entry 2011576

Structure parameters

• Formula: C17 H15 N O4
• Calculated formula: C17 H15 N O4
• SMILES: OC(=O)[C@@H](N1C(=O)c2ccccc2C1)Cc1ccc(O)cc1
• Title of publication: Intermolecular O-H...O hydrogen bonding in the three independent molecules of (2S)-3-(4-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)propanoic acid
• Authors of publication: Brady, Fiona; Gallagher, John F.
• Journal of publication: Acta Crystallographica, Section C
• Year of publication: 2000
• Journal volume: 56
• Pages of publication: 1407 - 1410
• a: 10.7589 ± 0.0009 Å
• b: 17.8696 ± 0.0017 Å
• c: 22.667 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4357.9 ± 0.7 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Duplicate of: 1100907
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No