Information card for entry 2219459

Structure parameters

• Chemical name: 7,8,9,10-Tetrahydrocyclohepta[<i>b</i>]indol-6(5<i>H</i>)-one
• Formula: C13 H13 N O
• Calculated formula: C13 H13 N O
• SMILES: O=C1c2[nH]c3ccccc3c2CCCC1
• Title of publication: 7,8,9,10-Tetrahydrocyclohepta[<i>b</i>]indol-6(5<i>H</i>)-one
• Authors of publication: Sridharan, M.; Prasad, K. J. Rajendra; Gunaseelan, A. Thomas; Thiruvalluvar, A.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1697
• a: 14.0914 ± 0.0004 Å
• b: 8.0883 ± 0.0002 Å
• c: 9.2503 ± 0.0003 Å
• α: 90°
• β: 108.937 ± 0.003°
• γ: 90°
• Cell volume: 997.24 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0714
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes