Information card for entry 4025098

Structure parameters

• Formula: C23 H40 O4
• Calculated formula: C23 H40 O4
• SMILES: O[C@]12[C@@H]3[C@@H]4OC(OC[C@@H]4C[C@H]1[C@H](CC[C@@H]([C@@H]3CC[C@]2(O)C)C)C(C)C)(C)C.O[C@@]12[C@H]3[C@H]4OC(OC[C@H]4C[C@@H]1[C@@H](CC[C@H]([C@H]3CC[C@@]2(O)C)C)C(C)C)(C)C
• Title of publication: Toward the Total Synthesis of Vinigrol: Synthesis of epi-C-8-Dihydrovinigrol
• Authors of publication: Lionel Gentric; Xavier Le Goff; Louis Ricard; Issam Hanna
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 9337 - 9344
• a: 21.298 ± 0.001 Å
• b: 10.326 ± 0.001 Å
• c: 19.407 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4268 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No