Information card for entry 4025094

Structure parameters

• Formula: C24 H38 O5
• Calculated formula: C24 H38 O5
• SMILES: O1[C@]2(CC[C@H]3[C@H]4[C@]2(OC1=O)[C@H](C[C@H]1[C@@H]4OC(OC1)(C)C)[C@@H](CC[C@H]3C)C(C)C)C.O1[C@@]2(CC[C@@H]3[C@@H]4[C@@]2(OC1=O)[C@@H](C[C@@H]1[C@H]4OC(OC1)(C)C)[C@H](CC[C@@H]3C)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: 11.405 ± 0.001 Å
• b: 14.664 ± 0.001 Å
• c: 13.714 ± 0.001 Å
• α: 90°
• β: 107.231 ± 0.001°
• γ: 90°
• Cell volume: 2190.6 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No