Information card for entry 7128877

Structure parameters

• Formula: C19 H21 N O2 S
• Calculated formula: C19 H21 N O2 S
• SMILES: S(=O)(=O)(N[C@H]1C(=Cc2ccccc12)CCC)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: 5.1578 ± 0.0003 Å
• b: 8.9611 ± 0.0004 Å
• c: 9.5418 ± 0.0005 Å
• α: 92.623 ± 0.002°
• β: 103.752 ± 0.001°
• γ: 95.143 ± 0.002°
• Cell volume: 425.62 ± 0.04 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.02 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No