Information card for entry 2211148

Structure parameters

• Chemical name: Ethyl 7-hydroxy-1H-indole-1-carboxylate
• Formula: C11 H11 N O3
• Calculated formula: C11 H11 N O3
• SMILES: O=C(OCC)n1ccc2cccc(O)c12
• Title of publication: Ethyl 7-hydroxy-1<i>H</i>-indole-1-carboxylate
• Authors of publication: G. Senthil Kumar; K. Chinnakali; R. Balamurugan; A. K. Mohanakrishnan; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4969 - o4971
• a: 29.6743 ± 0.0004 Å
• b: 7.7695 ± 0.0001 Å
• c: 21.7331 ± 0.0003 Å
• α: 90°
• β: 127.118 ± 0.001°
• γ: 90°
• Cell volume: 3995.47 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0398
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes