Information card for entry 2207149

Structure parameters

• Chemical name: (Z)-[2-(1-Methyl-1H-indol-3-yl)methylidene]cyclohexanone
• Formula: C16 H17 N O
• Calculated formula: C16 H17 N O
• SMILES: O=C1/C(=C/c2c3c(n(c2)C)cccc3)CCCC1
• Title of publication: (<i>Z</i>)-[2-(1-Methyl-1<i>H</i>-indol-3-yl)methylidene]cyclohexanone
• Authors of publication: K. Ravikumar; B. Sridhar; C. J.Saikia; R. C. Boruah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3672 - o3673
• a: 7.9154 ± 0.0009 Å
• b: 13.7376 ± 0.0014 Å
• c: 22.98 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2498.8 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes