Information card for entry 4516887

Structure parameters

• Formula: C34 H32 N4 O2
• Calculated formula: C34 H32 N4 O2
• SMILES: O=c1n(c(nc2c1cccc2C(C)C)c1c2c(ccc1)cccc2c1nc2c(C(C)C)cccc2c(=O)n1C)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: 18.3177 ± 0.0014 Å
• b: 11.2752 ± 0.0009 Å
• c: 26.814 ± 0.002 Å
• α: 90°
• β: 100.871 ± 0.003°
• γ: 90°
• Cell volume: 5438.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No