Information card for entry 7241609

Structure parameters

• Chemical name: hinokitiol
• Formula: C30 H32 O10 S2
• Calculated formula: C30 H32 O10 S2
• 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: 6.8451 ± 0.0003 Å
• b: 9.0199 ± 0.0004 Å
• c: 12.2623 ± 0.0006 Å
• α: 81.489 ± 0.002°
• β: 78.81 ± 0.002°
• γ: 70.464 ± 0.001°
• Cell volume: 697.12 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No