Information card for entry 2234119

Structure parameters

• Chemical name: 1-(2-Methylbenzyl)-1<i>H</i>-indole-3-carbaldehyde
• Formula: C17 H15 N O
• Calculated formula: C17 H15 N O
• SMILES: O=Cc1cn(c2c1cccc2)Cc1ccccc1C
• Title of publication: 1-(2-Methylbenzyl)-1<i>H</i>-indole-3-carbaldehyde
• Authors of publication: Wu, Yang; Ren, Wen; Wang, Qiang; He, Gu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1151
• a: 10.5251 ± 0.0003 Å
• b: 15.4352 ± 0.0005 Å
• c: 8.2335 ± 0.0002 Å
• α: 90°
• β: 99.214 ± 0.003°
• γ: 90°
• Cell volume: 1320.33 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes