Information card for entry 7122910

Structure parameters

• Formula: C21 H25 N O2
• Calculated formula: C21 H25 N O2
• Title of publication: Catalyst-Controlled Cascade Synthesis of Bridged Bicyclic Tetrahydrobenz[b]azepine-4-ones
• Authors of publication: Kroc, Michelle A.; Markiewicz, Maciej; Pace, Wiktoria H.; Wink, Donald; Anderson, Laura
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.4055 ± 0.001 Å
• b: 20.834 ± 0.002 Å
• c: 9.2746 ± 0.001 Å
• α: 90°
• β: 107.844 ± 0.003°
• γ: 90°
• Cell volume: 1730 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No