Information card for entry 1504059

Structure parameters

• Formula: C16 H22 O7
• Calculated formula: C16 H22 O7
• SMILES: O1[C@@]23[C@@]4([C@@H](O[C@H]2[C@@H](O[C@H]1C4)OC(=O)C)COC(=O)C)CCCC3.O1[C@]23[C@]4([C@H](O[C@@H]2[C@H](O[C@@H]1C4)OC(=O)C)COC(=O)C)CCCC3
• 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: 6.986 ± 0.002 Å
• b: 24.324 ± 0.005 Å
• c: 18.651 ± 0.003 Å
• α: 90°
• β: 90.932 ± 0.005°
• γ: 90°
• Cell volume: 3168.9 ± 1.2 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: 0.1414
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2225
• Weighted residual factors for all reflections included in the refinement: 0.2447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.314
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No