Information card for entry 7241607

Structure parameters

• Common name: colchicine
• Chemical name: Colchicine-AII2
• Formula: C29 H33 N O9 S
• Calculated formula: C29 H33 N O9 S
• SMILES: S(=O)(=O)([O-])c1ccc(C)cc1.O(C1=CC=C2c3c(OC)c(OC)c(OC)cc3CC[C@H](NC(=O)C)C2=CC1=[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: 12.858 ± 0.003 Å
• b: 8.1256 ± 0.0019 Å
• c: 13.356 ± 0.003 Å
• α: 90°
• β: 91.313 ± 0.007°
• γ: 90°
• Cell volume: 1395.1 ± 0.6 ų
• Cell temperature: 220 K
• Ambient diffraction temperature: 220 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No