Information card for entry 2017676

Structure parameters

• Chemical name: 14-acetyl-8,11-dimethyl-7,8,13,14- tetrahydrobenzo[<i>f</i>]naphtho[1,2-<i>b</i>]azocine‒14-acetyl- 8,9-dimethyl-7,8,13,14-tetrahydrobenzo[<i>f</i>]naphtho[1,2-<i>b</i>]azocine (74/26)
• Formula: C23 H23 N O
• Calculated formula: C23.023 H23.023 N1.001 O1.001
• Title of publication: Ring conformations and intermolecular interactions in two fused dibenzoazocines
• Authors of publication: Yepes, Andrés F.; Jaimes, Ederson; Bahsas, Ali; Palma, Alirio; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o284 - o288
• a: 18.9549 ± 0.001 Å
• b: 9.8917 ± 0.0004 Å
• c: 9.4354 ± 0.0005 Å
• α: 90°
• β: 97.348 ± 0.003°
• γ: 90°
• Cell volume: 1754.57 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0882
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes