Information card for entry 4024315

Structure parameters

• Formula: C17 H28 O4
• Calculated formula: C17 H28 O4
• SMILES: O=C1O[C@@H]([C@H](CCC=C([C@@H](O)CC[C@@](O)(C=C1)C)C)C)C
• Title of publication: Total Synthesis of (-)-5,6-Dihydrocineromycin B
• Authors of publication: Guozhi Li; Xiaoxia Yang; Hongbin Zhai
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 1356 - 1359
• a: 7.9368 ± 0.0009 Å
• b: 14.6814 ± 0.0018 Å
• c: 14.9334 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1740.1 ± 0.4 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: 0.0843
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No