Information card for entry 1502028

Structure parameters

• Formula: C34 H20 N2 O
• Calculated formula: C34 H20 N2 O
• SMILES: O=n1c(ccc2ccc3ccc4ccc5c6c(c7ccccc7c5c4c3c12)cccc6)c1ncccc1
• Title of publication: Helical chiral 2,2'-bipyridine N-monoxides as catalysts in the enantioselective propargylation of aldehydes with allenyltrichlorosilane.
• Authors of publication: Chen, Jinshui; Captain, Burjor; Takenaka, Norito
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 1654 - 1657
• a: 8.3737 ± 0.0003 Å
• b: 12.6257 ± 0.0005 Å
• c: 21.4999 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2273.05 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.045
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No