Information card for entry 2209859

Structure parameters

• Chemical name: 1-(4-Methoxybenzyl)-1H-indole-3-carbaldehyde
• Formula: C17 H15 N O2
• Calculated formula: C17 H15 N O2
• SMILES: c1c(c2ccccc2n1Cc1ccc(cc1)OC)C=O
• Title of publication: 1-(4-Methoxybenzyl)-1<i>H</i>-indole-3-carbaldehyde
• Authors of publication: Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3231 - o3232
• a: 17.9743 ± 0.0002 Å
• b: 10.2389 ± 0.0001 Å
• c: 16.5413 ± 0.0002 Å
• α: 90°
• β: 120.915 ± 0.0006°
• γ: 90°
• Cell volume: 2611.71 ± 0.05 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes