Information card for entry 7241613

Structure parameters

• Formula: C22 H28 N O7.5
• Calculated formula: C22 H28 N O7.5
• SMILES: O(c1c2c(cc(OC)c1OC)CC[C@H](NC(=O)C)C1=CC(=O)C(OC)=CC=C21)C.O.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: 13.829 ± 0.004 Å
• b: 10.484 ± 0.004 Å
• c: 15.998 ± 0.005 Å
• α: 90°
• β: 110.885 ± 0.006°
• γ: 90°
• Cell volume: 2167 ± 1.2 ų
• Cell temperature: 205 K
• Ambient diffraction temperature: 205 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1701
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.2126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No