Information card for entry 2003696

Structure parameters

• Chemical name: 1,3,4,10b-tetrahydro-4-phenylpyrido[2,1-a]isoindole-2,6-dione
• Formula: C18 H15 N O2
• Calculated formula: C18 H15 N O2
• SMILES: O=C1N2[C@@H](c3c1cccc3)CC(=O)C[C@@H]2c1ccccc1.O=C1N2[C@H](c3c1cccc3)CC(=O)C[C@H]2c1ccccc1
• Title of publication: 1,3,4,10b-Tetrahydro-4-phenylpyrido[2,1-<i>a</i>]isoindole-2,6-dione
• Authors of publication: Beckwith, A. L. J.; Joseph, S. P.; Mayadunne, R. T. A.; Willis, A. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1438 - 1440
• a: 8.531 ± 0.002 Å
• b: 9.406 ± 0.001 Å
• c: 9.759 ± 0.002 Å
• α: 75.92 ± 0.01°
• β: 78.44 ± 0.02°
• γ: 68.71 ± 0.01°
• Cell volume: 702.3 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.069
• Goodness-of-fit parameter for all reflections: 1.674
• Goodness-of-fit parameter for significantly intense reflections: 1.789
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No