Information card for entry 2232509

Structure parameters

• Chemical name: 6-Benzyl-6,7-dihydro-5<i>H</i>-pyrrolo[3,4-<i>b</i>]pyridine-5,7-dione
• Formula: C14 H10 N2 O2
• Calculated formula: C14 H10 N2 O2
• SMILES: N1(Cc2ccccc2)C(=O)c2cccnc2C1=O
• Title of publication: 6-Benzyl-6,7-dihydro-5<i>H</i>-pyrrolo[3,4-<i>b</i>]pyridine-5,7-dione
• Authors of publication: Sun, Hong-Shun; Jiang, Long; Xu, Hong; Lu, Xin-Hua; Li, Yu-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2895
• a: 11.8548 ± 0.0006 Å
• b: 12.3969 ± 0.0008 Å
• c: 8.1676 ± 0.0004 Å
• α: 90°
• β: 107.45 ± 0.03°
• γ: 90°
• Cell volume: 1145.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1152
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes