Information card for entry 7156255

Structure parameters

• Formula: C22 H20 Br N O3
• Calculated formula: C22 H20 Br N O3
• Title of publication: Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.
• Authors of publication: Cao, Jun; Sun, Jing; Yan, Chao-Guo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 4170 - 4175
• a: 8.7048 ± 0.0008 Å
• b: 19.6596 ± 0.0019 Å
• c: 22.0693 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3776.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No