Information card for entry 8104867

Structure parameters

• Formula: C35 H58 O6.5
• Calculated formula: C34 H56 O6
• Title of publication: The crystal structure of (3S,12R,20R,24R)-3,12-diacetyl-20,24-epoxy-dammarane-3,12,25–triol–ethyl acetate (4/1), C34H56O6⋅ 0.25(C4H8O2)
• Authors of publication: Zhao, Ruo-Lin; Wang, Hui-Yun; Wang, Xiao-Hui; Luan, Ming-Zhu; Zhao, Feng-Lan; Meng, Qing-Guo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 7 - 9
• a: 8.17152 ± 0.00014 Å
• b: 17.6728 ± 0.0003 Å
• c: 23.1916 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3349.18 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No