Information card for entry 1550356

Structure parameters

• Chemical name: Methyl 1-methyl-1<i>H</i>-indole-3-carboxylate
• Formula: C11 H11 N O2
• Calculated formula: C11 H11 N O2
• Title of publication: Methyl 1-methyl-1<i>H</i>-indole-3-carboxylate
• Authors of publication: Furuya, Tetsundo; Yagi, Shiomi; Yamazaki, Shu; Haraguchi, Tomoyuki; Akitsu, Takashiro; Mahesha, Ninganayaka; Sagar, Belakavadi K.; Yathirajan, Hemmige S.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 12
• Pages of publication: x181728
• a: 8.3019 ± 0.0017 Å
• b: 16.628 ± 0.003 Å
• c: 6.7622 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 933.5 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.2054
• Weighted residual factors for all reflections included in the refinement: 0.2077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes