Information card for entry 7052093

Structure parameters

• Formula: C21 H18 O
• Calculated formula: C21 H18 O
• SMILES: O=C(C(c1ccccc1)c1ccc(cc1)C)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: 5.7983 ± 0.0012 Å
• b: 9.0444 ± 0.0018 Å
• c: 15.82 ± 0.003 Å
• α: 94.69 ± 0.03°
• β: 100 ± 0.03°
• γ: 106.81 ± 0.03°
• Cell volume: 774.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0907
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No