Information card for entry 1504060

Structure parameters

• Formula: C16 H22 O7
• Calculated formula: C16 H22 O7
• SMILES: O(C(=O)C)[C@@H]1O[C@@H]2O[C@]34[C@@]([C@@H](OC(=O)C)CO[C@@H]14)(CCCC3)C2.O(C(=O)C)[C@H]1O[C@H]2O[C@@]34[C@]([C@H](OC(=O)C)CO[C@H]14)(CCCC3)C2
• Title of publication: Competing domino processes: path-discriminating ability of epoxide stereochemistry at the angular position.
• Authors of publication: Aquino, Maurizio; Safir, Imad; Elkhayat, Zobida; Gandara, Zoila; Perez, Manuel; Retailleau, Pascal; Arseniyadis, Siméon
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 16
• Pages of publication: 3610 - 3613
• a: 10.367 ± 0.001 Å
• b: 10.635 ± 0.001 Å
• c: 14.676 ± 0.002 Å
• α: 90°
• β: 100.819 ± 0.005°
• γ: 90°
• Cell volume: 1589.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0635
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No