Information card for entry 2218696

Structure parameters

• Chemical name: 7,8,9,10-Tetrahydro-2-methylcyclohepta[<i>b</i>]indol-6(5<i>H</i>)-one
• Formula: C14 H15 N O
• Calculated formula: C14 H15 N O
• SMILES: C1(=O)CCCCc2c1[nH]c1ccc(cc21)C
• Title of publication: 7,8,9,10-Tetrahydro-2-methylcyclohepta[<i>b</i>]indol-6(5<i>H</i>)-one
• Authors of publication: Sridharan, Makuteswaran; Prasad, Karnam J. Rajendra; Ngendahimana, Aimable; Zeller, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1207
• a: 11.461 ± 0.003 Å
• b: 6.5062 ± 0.0019 Å
• c: 14.459 ± 0.004 Å
• α: 90°
• β: 92.31 ± 0.004°
• γ: 90°
• Cell volume: 1077.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes