Information card for entry 7244845

Structure parameters

• Formula: C31 H26 O6 S
• Calculated formula: C31 H26 O6 S
• SMILES: S(=O)(=O)(c1ccc(C)cc1)C1=C(c2c(c3c(ccc(OC)c3)C1=O)cc(OC)cc2OC)c1ccccc1
• Title of publication: Electrooxidative tricyclic 6–7–6 fused-system domino assembly to allocolchicines by a removable radical strategy
• Authors of publication: Zhang, Yan; Ma, Chanchan; Cai, Zhenzhi; Struwe, Julia; Chen, Shengjie; Xu, Jinming; Li, Shiyin; Zeng, Wangyu; Ackermann, Lutz
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 9
• Pages of publication: 3697 - 3703
• a: 34.743 ± 0.002 Å
• b: 7.6413 ± 0.0003 Å
• c: 19.9522 ± 0.0011 Å
• α: 90°
• β: 100.316 ± 0.002°
• γ: 90°
• Cell volume: 5211.3 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No