Information card for entry 1503757

Structure parameters

• Formula: C15 H22 O6
• Calculated formula: C15 H22 O6
• SMILES: CC(C)([C@@H]1C[C@]21[C@@H]([C@@H](c1c(C2=O)cccc1)O)O)O.O.O.CC(C)([C@H]1C[C@@]21[C@H]([C@H](c1c(C2=O)cccc1)O)O)O.O.O
• Title of publication: An efficient method for construction of the angularly fused 6,3,5-tricyclic skeleton of mycorrhizin A and its analogues.
• Authors of publication: Yu, Binxun; Jiang, Tuo; Quan, Weiguo; Li, Junpeng; Pan, Xinfu; She, Xuegong
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 629 - 632
• a: 14.751 ± 0.011 Å
• b: 6.363 ± 0.005 Å
• c: 19.945 ± 0.011 Å
• α: 90°
• β: 127.43 ± 0.04°
• γ: 90°
• Cell volume: 1487 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1374
• Residual factor for significantly intense reflections: 0.1142
• Weighted residual factors for significantly intense reflections: 0.2845
• Weighted residual factors for all reflections included in the refinement: 0.3222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No