Information card for entry 4025383

Structure parameters

• Formula: C24 H19 N O4
• Calculated formula: C24 H19 N O4
• SMILES: N(=O)(=O)c1ccc(C(=O)OC2CCC2=C(c2ccccc2)c2ccccc2)cc1
• Title of publication: Acetoxylation and Hydroxylation of Diarylmethylenecycloalkanes via Radical Approach
• Authors of publication: Min Jiang; Yin Wei; Min Shi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 2528 - 2533
• a: 18.083 ± 0.002 Å
• b: 13.6403 ± 0.0015 Å
• c: 7.879 ± 0.0009 Å
• α: 90°
• β: 97.809 ± 0.002°
• γ: 90°
• Cell volume: 1925.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0894
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1729
• Weighted residual factors for all reflections included in the refinement: 0.1894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No