Information card for entry 7241606

Structure parameters

• Chemical name: colchicine
• Formula: C32 H33 N O9 S
• Calculated formula: C32 H33 N O9 S
• SMILES: S(=O)(=O)([O-])c1ccc2c(c1)cccc2.O(c1c2C3=CC=C(OC)C(C=C3[C@@H](NC(=O)C)CCc2cc(OC)c1OC)=[OH+])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: 7.825 ± 0.002 Å
• b: 16.685 ± 0.005 Å
• c: 21.993 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2871.4 ± 1.4 ų
• Cell temperature: 220 K
• Ambient diffraction temperature: 220 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: 0.1094
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No