Information card for entry 7128878

Structure parameters

• Formula: C24 H23 N O4 S
• Calculated formula: C24 H23 N O4 S
• SMILES: S(=O)(=O)(N[C@H]1[C@H]2[C@@H](c3ccccc13)c1c(OC2)ccc(OC)c1)c1ccc(cc1)C
• Title of publication: Enantioselective synthesis of 1-aminoindene derivatives <i>via</i> asymmetric Brønsted acid catalysis.
• Authors of publication: Wu, Xiang; Ding, Du; Zhang, Ying; Jiang, Hua-Jie; Wang, Tao; Zhao, Li-Ping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 76
• Pages of publication: 9680 - 9683
• a: 8.1788 ± 0.0003 Å
• b: 7.7926 ± 0.0003 Å
• c: 16.7712 ± 0.0006 Å
• α: 90°
• β: 103.581 ± 0.002°
• γ: 90°
• Cell volume: 1039.01 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No