Information card for entry 7119029

Structure parameters

• Formula: C21 H23 N3 O3 S
• Calculated formula: C21 H23 N3 O3 S
• SMILES: S(=O)(=O)(N1CCN(CC1)C(=O)c1c2ccccc2n(c1)C)c1ccc(C)cc1
• Title of publication: Synthesis and biological evaluation of novel indole derivatives containing sulfonamide scaffold as potential tubulin inhibitor
• Authors of publication: Man, Ruo-Jun; Tang, Dan-Jie; Lu, Xiao-Yuan; Duan, Yong-Tao; Tao, Xiang-Xiang; Yang, Meng-Ru; Wang, Le-Le; Wang, Bao-Zhong; Xu, Chen; Zhu, Hai-Liang
• Journal of publication: Med. Chem. Commun.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 1759
• a: 22.12 ± 0.003 Å
• b: 11.7114 ± 0.0016 Å
• c: 16.324 ± 0.002 Å
• α: 90°
• β: 109.222 ± 0.004°
• γ: 90°
• Cell volume: 3993.1 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No