Information card for entry 7104972

Structure parameters

• Formula: C34 H26 O3
• Calculated formula: C34 H26 O3
• SMILES: c1(c(OC)ccc2CCC3CCc4ccc5C(=O)C(=CC(=O)c5c4C=3c12)C)c1cccc2ccccc12
• 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: 10.1039 ± 0.0006 Å
• b: 11.6511 ± 0.0007 Å
• c: 11.8095 ± 0.0007 Å
• α: 116.042 ± 0.001°
• β: 90.402 ± 0.003°
• γ: 95.849 ± 0.004°
• Cell volume: 1240.5 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No