Information card for entry 2213366

Structure parameters

• Chemical name: 1H-indole-3-carbaldehyde
• Formula: C9 H7 N O
• Calculated formula: C9 H7 N O
• SMILES: O=Cc1c2c([nH]c1)cccc2
• Title of publication: Low-temperature redetermination of 1<i>H</i>-indole-3-carbaldehyde
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2732 - o2732
• a: 13.9016 ± 0.0001 Å
• b: 5.8655 ± 0.0001 Å
• c: 8.5928 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 700.655 ± 0.015 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes