Information card for entry 8106861

Structure parameters

• Formula: C11 H11 N O3
• Calculated formula: C11 H11 N O3
• Title of publication: Crystal structure of methyl 5-methoxy 1H-indole-2-carboxylate, C11H11NO3
• Authors of publication: Attia, Mohamed I.; Ghabbour, Hazem A.; Fun, Hoong-Kun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 313 - 314
• a: 7.8956 ± 0.0006 Å
• b: 5.8304 ± 0.0004 Å
• c: 22.0407 ± 0.0016 Å
• α: 90°
• β: 91.919 ± 0.003°
• γ: 90°
• Cell volume: 1014.06 ± 0.13 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No