Information card for entry 4134150

Structure parameters

• Formula: C33 H36 O
• Calculated formula: C33 H36 O
• SMILES: c1(c(cc(cc1C(C)(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C)O
• Title of publication: Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH₃ through Modification of the Hydrogen Atom Abstractor.
• Authors of publication: Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 7
• Pages of publication: 3361 - 3365
• a: 9.6158 ± 0.0009 Å
• b: 10.5411 ± 0.001 Å
• c: 13.8499 ± 0.0014 Å
• α: 99.752 ± 0.003°
• β: 106.021 ± 0.004°
• γ: 98.98 ± 0.004°
• Cell volume: 1299 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No