Information card for entry 2200659

Structure parameters

• Formula: C10 H9 N O2
• Calculated formula: C10 H9 N O2
• SMILES: [nH]1cc(c2ccccc12)CC(=O)O
• Title of publication: The twinned crystal structure of 3-indolylacetic acid
• Authors of publication: Degen, Alexander; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: o999 - o1000
• a: 17.848 ± 0.002 Å
• b: 5.2214 ± 0.0007 Å
• c: 9.568 ± 0.001 Å
• α: 90°
• β: 105.7 ± 0.01°
• γ: 90°
• Cell volume: 858.39 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.038
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes