Information card for entry 7052092

Structure parameters

• Formula: C31 H30 O3
• Calculated formula: C31 H30 O3
• SMILES: O=C([C@@H]([C@](O)([C@@H](OC(C)C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.O=C([C@H]([C@@](O)([C@H](OC(C)C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: ?GaI?: A new reagent for chemo- and diastereoselective C?C bond forming reactions
• Authors of publication: Green, Shaun P.; Jones, Cameron; Stasch, Andreas; Rose, Richard P.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 127
• a: 20.793 ± 0.004 Å
• b: 6.122 ± 0.0012 Å
• c: 20.961 ± 0.004 Å
• α: 90°
• β: 114.24 ± 0.03°
• γ: 90°
• Cell volume: 2433 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No