Information card for entry 2237921

Structure parameters

• Common name: 5-(benzyloxy)-3-methyl-1-tosyl-1H-indole
• Chemical name: 5-Benzyloxy-3-methyl-1-tosyl-1<i>H</i>-indole
• Formula: C23 H21 N O3 S
• Calculated formula: C23 H21 N O3 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1ccc(c2)OCc1ccccc1)C
• Title of publication: 5-Benzyloxy-3-methyl-1-tosyl-1<i>H</i>-indole
• Authors of publication: Pozza Silveira, Gustavo; Oliver, Allen G.; Noll, Bruce C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o979
• a: 8.317 ± 0.003 Å
• b: 15.601 ± 0.006 Å
• c: 14.752 ± 0.005 Å
• α: 90°
• β: 90.884 ± 0.011°
• γ: 90°
• Cell volume: 1913.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes