Information card for entry 1506593

Structure parameters

• Formula: C17 H26 O4
• Calculated formula: C17 H26 O4
• SMILES: CC(=C)[C@H]1CC[C@]2([C@@]3(O[C@]3(C)CC[C@@H]2OC(=O)C)[C@H]1O)C.CC(=C)[C@@H]1CC[C@@]2([C@]3(O[C@@]3(C)CC[C@H]2OC(=O)C)[C@@H]1O)C
• Title of publication: A novel stereocontrolled approach to eudesmanolides: total synthesis of (+/-)-gallicadiol and (+/-)-isogallicadiol.
• Authors of publication: Li, Wei-Dong Z; Gao, Zhang-Hua
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 14
• Pages of publication: 2917 - 2920
• a: 16.846 ± 0.008 Å
• b: 18.842 ± 0.008 Å
• c: 11.732 ± 0.005 Å
• α: 90°
• β: 121.761 ± 0.005°
• γ: 90°
• Cell volume: 3166 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No