Information card for entry 4516885

Structure parameters

• Formula: C23 H20 N2 O4
• Calculated formula: C23 H20 N2 O4
• SMILES: O(O)C12N(C)C(=O)c3cccc(c3N1C(=O)c1cccc3cccc2c13)C(C)C
• Title of publication: Autoxidation of Heterocyclic Aminals.
• Authors of publication: Zhai, Feng; Jordan, Richard F.
• Journal of publication: ACS omega
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 3055 - 3063
• a: 42.788 ± 0.003 Å
• b: 42.788 ± 0.003 Å
• c: 7.4202 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11765 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No