Information card for entry 7241605

Structure parameters

• Formula: C20 H22 O6 S
• Calculated formula: C20 H22 O6 S
• SMILES: S(=O)(=O)([O-])c1ccc2c(c1)cccc2.OC1=CC=CC(=CC1=[OH+])C(C)C.O
• 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: 9.2402 ± 0.0004 Å
• b: 31.6946 ± 0.0017 Å
• c: 6.4645 ± 0.0003 Å
• α: 90°
• β: 101.052 ± 0.002°
• γ: 90°
• Cell volume: 1858.11 ± 0.15 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No