Information card for entry 2208256

Structure parameters

• Chemical name: 2-(1-Phenylsulfonyl-1H-indol-3-yl)-1,2-dihydronaphthalen-1-ol
• Formula: C24 H19 N O3 S
• Calculated formula: C24 H19 N O3 S
• SMILES: S(=O)(=O)(n1c2c(c([C@H]3[C@@H](O)c4ccccc4C=C3)c1)cccc2)c1ccccc1.S(=O)(=O)(n1c2c(c([C@@H]3[C@H](O)c4ccccc4C=C3)c1)cccc2)c1ccccc1
• Title of publication: 2-(1-Phenylsulfonyl-1<i>H</i>-indol-3-yl)-1,2-dihydronaphthalen-1-ol
• Authors of publication: Dockendorff, Chris; Lautens, Mark; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1030 - o1032
• a: 9.4904 ± 0.0004 Å
• b: 12.2689 ± 0.0005 Å
• c: 16.5644 ± 0.001 Å
• α: 90°
• β: 97.4327 ± 0.0015°
• γ: 90°
• Cell volume: 1912.5 ± 0.16 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.1171
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes