Information card for entry 1504061

Structure parameters

• Formula: C19 H22 O4
• Calculated formula: C19 H22 O4
• SMILES: O(c1cccc(c1)[C@@]12OC=C[C@@]34O[C@@H](OC1)C[C@@]23CCCC4)C.O(c1cccc(c1)[C@]12OC=C[C@]34O[C@H](OC1)C[C@]23CCCC4)C
• 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: 10.489 ± 0.005 Å
• b: 13.758 ± 0.005 Å
• c: 12.54 ± 0.004 Å
• α: 90°
• β: 123.65 ± 0.03°
• γ: 90°
• Cell volume: 1506.4 ± 1.1 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: 0.0848
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.216
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.309
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No