Information card for entry 4022034

Structure parameters

• Formula: C23 H28 O7
• Calculated formula: C23 H28 O7
• SMILES: O=C1OC[C@]23OC(=C[C@H]([C@@H]3C(=O)CC[C@@]12C)[C@H](C)C(=O)OC(C)(C)C)c1ccoc1.O=C1OC[C@@]23OC(=C[C@@H]([C@H]3C(=O)CC[C@]12C)[C@@H](C)C(=O)OC(C)(C)C)c1ccoc1
• Title of publication: Convergent and Diastereoselective Synthesis of the Polycyclic Pyran Core of Saudin
• Authors of publication: Uttam K. Tambar; Taichi Kano; John F. Zepernick; Brian M. Stoltz
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 8357 - 8364
• a: 8.2333 ± 0.0006 Å
• b: 25.9013 ± 0.0019 Å
• c: 9.8295 ± 0.0007 Å
• α: 90°
• β: 95.776 ± 0.001°
• γ: 90°
• Cell volume: 2085.5 ± 0.3 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.0574
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No