Information card for entry 8100834

Structure parameters

• Formula: C23 H27 N O3
• Calculated formula: C23 H27 N O3
• SMILES: O1C(=CN(C(=O)[C@@H]([C@@H]1C)O)C(c1ccccc1)c1ccccc1)C(C)(C)C
• Title of publication: Crystal structure of (6R,7S)-N-benzhydryl-6-hydroxy-7-methyl-2-tert- butyl-4,5,6,7-tetrahydro-4-aza-oxepin-5-one, C~23~H~27~NO~3~
• Authors of publication: Tinant, Bernard; Declercq, Jean-Paul; Cérésiat, Marcel; Marchand-Brynaert, Jacqueline
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 1
• Pages of publication: 53 - 54
• a: 18.153 ± 0.006 Å
• b: 9.754 ± 0.003 Å
• c: 13.682 ± 0.005 Å
• α: 90°
• β: 121.71 ± 0.04°
• γ: 90°
• Cell volume: 2060.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No