Information card for entry 8100833

Structure parameters

• Formula: C25 H23 N O3
• Calculated formula: C25 H23 N O3
• SMILES: O1[C@H](C(=O)N(C=C1c1ccccc1)C(c1ccccc1)c1ccccc1)[C@H](O)C
• Title of publication: Crystal structure of (2S,7R)-N-benzhydryl-2-(1'-hydroxyethyl)-6-phenyl- 5,6-dehydromorpholin-3-one, C~25~H~23~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: 51 - 52
• a: 8.804 ± 0.003 Å
• b: 11.005 ± 0.004 Å
• c: 21.222 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2056.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No