Information card for entry 1519314

Structure parameters

• Formula: C19 H19 N O2
• Calculated formula: C19 H19 N O2
• SMILES: O1C[C@H]2[C@H](C(=O)N([C@@H]2c2ccccc2)C)[C@@H]1c1ccccc1.O1C[C@@H]2[C@@H](C(=O)N([C@H]2c2ccccc2)C)[C@H]1c1ccccc1
• Title of publication: 5-Methyl-3,6-diphenyl-hexahydro-furo-[3,4-c]pyrrol-4-one
• Authors of publication: Gelbrich, Thomas; Swain, Nigel; Hursthouse, Michael B.; Brown, Richard
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 531
• a: 10.3182 ± 0.0003 Å
• b: 21.7444 ± 0.0007 Å
• c: 6.7 ± 0.0002 Å
• α: 90°
• β: 96.89 ± 0.02°
• γ: 90°
• Cell volume: 1492.38 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No