Information card for entry 7241608

Structure parameters

• Formula: C17 H20 O5 S
• Calculated formula: C17 H20 O5 S
• SMILES: S(=O)(=O)([O-])c1ccc(cc1)C.[OH+]=C1C=C(C=CC=C1O)C(C)C
• Title of publication: Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring
• Authors of publication: Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 30 - 34
• a: 6.6868 ± 0.0002 Å
• b: 31.6978 ± 0.0011 Å
• c: 7.7242 ± 0.0003 Å
• α: 90°
• β: 93.655 ± 0.001°
• γ: 90°
• Cell volume: 1633.87 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No