Information card for entry 2010413

Structure parameters

• Formula: C20 H20 N2 O3
• Calculated formula: C20 H20 N2 O3
• SMILES: O=C1N2[C@@H]([C@@H]3[C@H]1CN(O3)Cc1ccccc1)CO[C@@H]2c1ccccc1
• Title of publication: (3aS,3bR,6R,7aR)-2-Benzyl-1,2,3a,3b,4,7a-hexahydro-6-phenyl-3,5-dioxa- 2,6a-diazacyclopenta[a]pentalen-7-one
• Authors of publication: Chiaroni, Angèle; Deyine, Abdallah; Griffard-Brunet, Dominique; Langlois, Nicole; Riche, Claude
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Pages of publication: 91 - 93
• a: 5.607 ± 0.002 Å
• b: 10.954 ± 0.003 Å
• c: 27.452 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1686.1 ± 1.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.052
• Duplicate of: 2003179
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No