Information card for entry 7055365

Structure parameters

• Formula: C17 H16 Br P
• Calculated formula: C17 H16 Br P
• SMILES: BrC1=CC(c2c(P1c1ccccc1)cccc2)(C)C
• Title of publication: 1,4-Dihydrophosphinolines and their complexes with group 10 metals
• Authors of publication: Klingenberg, Margarita A.; Bogachenkov, Alexander S.; Kinzhalov, Mikhail A.; Vasilyev, Aleksander V.; Boyarskiy, Vadim P.
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 4
• Pages of publication: 3336
• a: 20.3791 ± 0.0003 Å
• b: 10.08862 ± 0.00014 Å
• c: 15.5172 ± 0.0002 Å
• α: 90°
• β: 110.049 ± 0.0017°
• γ: 90°
• Cell volume: 2996.97 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0305
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No