Information card for entry 2201045

Structure parameters

• Formula: C11 H13 N O
• Calculated formula: C11 H13 N O
• SMILES: O(c1ccc2[nH]c(c(c2c1)C)C)C
• Title of publication: 5-Methoxy-2,3-dimethylindole
• Authors of publication: Kennedy, Alan R.; Sherwood, John N.; Slavin, Paul A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o642 - o643
• a: 7.7769 ± 0.0004 Å
• b: 6.2492 ± 0.0003 Å
• c: 9.6263 ± 0.0005 Å
• α: 90°
• β: 92.749 ± 0.002°
• γ: 90°
• Cell volume: 467.29 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes