Information card for entry 2221543

Structure parameters

• Common name: methylcyclohepta[b]indole
• Chemical name: 4-Methyl-7,8,9,10-tetrahydrocyclohepta[<i>b</i>]indol-6(5<i>H</i>)-one
• Formula: C14 H15 N O
• Calculated formula: C14 H15 N O
• SMILES: O=C1c2[nH]c3c(cccc3c2CCCC1)C
• Title of publication: 4-Methyl-7,8,9,10-tetrahydrocyclohepta[<i>b</i>]indol-6(5<i>H</i>)-one
• Authors of publication: Sridharan, M.; Rajendra Prasad, K. J.; Thomas Gunaseelan, A.; Thiruvalluvar, A.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o698
• a: 9.6731 ± 0.0004 Å
• b: 10.0924 ± 0.0005 Å
• c: 11.8328 ± 0.0006 Å
• α: 90°
• β: 103.397 ± 0.005°
• γ: 90°
• Cell volume: 1123.74 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1329
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.2266
• Weighted residual factors for all reflections included in the refinement: 0.2526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes