Information card for entry 7061283

Structure parameters

• Formula: C20 H27 P Se
• Calculated formula: C20 H27 P Se
• SMILES: [Se]=P(C(C)(C)C)(c1c(c2ccccc2)cccc1)C(C)(C)C
• Title of publication: Exploring steric and electronic parameters of biaryl phosphacycles
• Authors of publication: Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 4677 - 4686
• a: 15.8601 ± 0.0002 Å
• b: 17.0706 ± 0.0002 Å
• c: 14.009 ± 0.0001 Å
• α: 90°
• β: 91.786 ± 0.001°
• γ: 90°
• Cell volume: 3790.97 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 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: 0.0363
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No