Information card for entry 4038427

Structure parameters

• Formula: C24 H21 N3 O2
• Calculated formula: C24 H21 N3 O2
• Title of publication: Organocatalytic Diastereoselective Synthesis of Diazoaryl-benzo[<i>b</i>]azepine Derivatives.
• Authors of publication: Nagaraju, Koppanathi; Gurubrahamam, Ramani; Chen, Kwunmin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 13.9209 ± 0.0003 Å
• b: 10.0413 ± 0.0002 Å
• c: 14.2411 ± 0.0003 Å
• α: 90°
• β: 97.005 ± 0.001°
• γ: 90°
• Cell volume: 1975.82 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No