Information card for entry 7156257

Structure parameters

• Formula: C28 H26 Cl2 N2 O3
• Calculated formula: C28 H26 Cl2 N2 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: 15.2237 ± 0.0016 Å
• b: 12.7126 ± 0.0013 Å
• c: 15.0411 ± 0.0015 Å
• α: 90°
• β: 119.6°
• γ: 90°
• Cell volume: 2531.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1457
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.2021
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No