Information card for entry 1546426

Structure parameters

• Formula: C25 H21 N O3 S
• Calculated formula: C25 H21 N O3 S
• SMILES: S(=O)(=O)(N1c2ccccc2[C@H]2CC(=O)C=C[C@@]12c1ccccc1)c1ccc(cc1)C
• Title of publication: (3 + 2)-Annulation of p-Quinamine and Aryne: A Strategy To Construct the Multisubstituted Hydrocarbazoles.
• Authors of publication: Xu, Dengyu; Zhao, Yulong; Song, Dengpeng; Zhong, Zhuliang; Feng, Shangbiao; Xie, Xingang; Wang, Xiaolei; She, Xuegong
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 3600 - 3603
• a: 9.3259 ± 0.0005 Å
• b: 19.0277 ± 0.0011 Å
• c: 23.1597 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4109.7 ± 0.4 ų
• Cell temperature: 236 ± 12 K
• Ambient diffraction temperature: 236 ± 12 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1186
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No