Information card for entry 7105839

Structure parameters

• Formula: C27 H28 O3
• Calculated formula: C27 H28 O3
• Title of publication: Organocatalytic Enantioselective Desymmetrization of Cyclic Enones via Phosphine Promoted [3+2] Annulations
• Authors of publication: Nathalie Pinto; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1015
• a: 6.273 ± 0.003 Å
• b: 10.862 ± 0.004 Å
• c: 16.439 ± 0.004 Å
• α: 89.178 ± 0.002°
• β: 81.131 ± 0.008°
• γ: 89.707 ± 0.005°
• Cell volume: 1106.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No