Information card for entry 7104971

Structure parameters

• Formula: C36 H28 O3
• Calculated formula: C36 H28 O3
• SMILES: c1ccccc1c1ccccc1c1ccc(c2c1[C@H]1[C@@H](CC2)CCc2c1c1c(cc2)C(=O)C(=CC1=O)C)OC
• Title of publication: Dynamic kinetic resolution in the asymmetric synthesis of atropisomeric biaryl[4] and [5]helicene quinones.
• Authors of publication: Latorre, Alfonso; Urbano, Antonio; Carreño, M Carmen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 6652 - 6654
• a: 7.6471 ± 0.0004 Å
• b: 15.5793 ± 0.0009 Å
• c: 21.787 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2595.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No