Information card for entry 1543021

Structure parameters

• Formula: C19 H18 O5
• Calculated formula: C19 H18 O5
• SMILES: O1[C@H]2[C@@H]3OC(=O)[C@@]4([C@@H]2C)CCc2c5[C@]4(O)[C@@H]3[C@@H]1c5c(cc(=O)c2)C
• Title of publication: Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids.
• Authors of publication: Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 1880 - 1883
• a: 8.2087 ± 0.0001 Å
• b: 8.2087 ± 0.0001 Å
• c: 44.2189 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2979.59 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No