Information card for entry 1566848

Structure parameters

• Chemical name: 1-(Phenylsulfonyl)-1<i>H</i>-indole-2-carbaldehyde
• Formula: C15 H11 N O3 S
• Calculated formula: C15 H11 N O3 S
• Title of publication: 1-(Phenylsulfonyl)-1<i>H</i>-indole-2-carbaldehyde
• Authors of publication: Pineda, Leslie W.; Ferllini, Natasha; Cabezas, Jorge A.
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 4
• Pages of publication: x220401
• a: 12.6886 ± 0.0007 Å
• b: 9.2655 ± 0.0006 Å
• c: 11.6024 ± 0.0007 Å
• α: 90°
• β: 105.374 ± 0.002°
• γ: 90°
• Cell volume: 1315.24 ± 0.14 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes