Information card for entry 4107931

Structure parameters

• Formula: C23 H17 N O3
• Calculated formula: C23 H17 N O3
• SMILES: O(N1C(=O)c2c(C1=O)cccc2)C1c2ccccc2CCc2ccccc12
• Title of publication: Cu-Facilitated C-O Bond Formation Using N-Hydroxyphthalimide: Efficient and Selective Functionalization of Benzyl and Allylic C-H Bonds
• Authors of publication: Ji Min Lee; Eun Ju Park; Seung Hwan Cho; Sukbok Chang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 7824 - 7825
• a: 12.3497 ± 0.001 Å
• b: 25.303 ± 0.0019 Å
• c: 5.5954 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1748.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No