Information card for entry 4103590

Structure parameters

• Formula: C21 H24 O6
• Calculated formula: C21 H24 O6
• SMILES: [C@]1(C(=O)[C@]23[C@]45CC=CC([C@H]4O[C@@]2(C[C@H]1C=C3)C(=O)OC5)(C)C)(C)OC(=O)C.[C@@]1(C(=O)[C@@]23[C@@]45CC=CC([C@@H]4O[C@]2(C[C@@H]1C=C3)C(=O)OC5)(C)C)(C)OC(=O)C
• Title of publication: Total Synthesis of (\±) Maoecrystal V
• Authors of publication: Jianxian Gong; Guang Lin; Wenbo Sun; Chuang-Chuang Li; Zhen Yang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 16745 - 16746
• a: 10.922 ± 0.002 Å
• b: 15.497 ± 0.003 Å
• c: 21.965 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3717.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 0.779
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No