Information card for entry 4103408

Structure parameters

• Formula: C27 H33 N O2
• Calculated formula: C27 H33 N O2
• SMILES: O=c1n(cccc1)C(c1ccc(cc1)C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
• Title of publication: Ambident Reactivities of Pyridone Anions
• Authors of publication: Martin Breugst; Herbert Mayr
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 15380 - 15389
• a: 10.6093 ± 0.0006 Å
• b: 10.9456 ± 0.0008 Å
• c: 20.9242 ± 0.0013 Å
• α: 90°
• β: 94.074 ± 0.005°
• γ: 90°
• Cell volume: 2423.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1672
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 0.776
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No