Information card for entry 4114039

Structure parameters

• Formula: C19 H23 N O2
• Calculated formula: C19 H23 N O2
• SMILES: O(C1=CC=C([C@@H]2[C@H]([C@H]12)c1ccccc1)C(=O)NC(C)(C)C)C.O(C1=CC=C([C@H]2[C@@H]([C@@H]12)c1ccccc1)C(=O)NC(C)(C)C)C
• Title of publication: Stereospecific Photochemical Ring Expansion of Lithiated Benzamides
• Authors of publication: Jonathan Clayden; Faye E. Knowles; Christel J. Menet
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 9278 - 9279
• a: 9.114 Å
• b: 19.311 Å
• c: 9.794 Å
• α: 90°
• β: 99.95°
• γ: 90°
• Cell volume: 1697.82 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No