Information card for entry 7157205

Structure parameters

• Formula: C18 H18 O6
• Calculated formula: C18 H18 O6
• Title of publication: Total synthesis of (±)-tanshinol B, tanshinone I, and (±)-tanshindiol B and C.
• Authors of publication: Wang, Fan; Yang, Hong; Yu, Shujuan; Xue, Yu; Fan, Zhoulong; Liang, Gaolin; Geng, Meiyu; Zhang, Ao; Ding, Chunyong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 3376 - 3381
• a: 24.3697 ± 0.0019 Å
• b: 9.1064 ± 0.0007 Å
• c: 6.6779 ± 0.0006 Å
• α: 90°
• β: 99.992 ± 0.004°
• γ: 90°
• Cell volume: 1459.5 ± 0.2 ų
• Cell temperature: 205 K
• Ambient diffraction temperature: 205 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No