Information card for entry 7061280

Structure parameters

• Formula: C22 H27 O2 P Se
• Calculated formula: C22 H27 O2 P Se
• 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: 7.4669 ± 0.0002 Å
• b: 17.7087 ± 0.0004 Å
• c: 15.2071 ± 0.0003 Å
• α: 90°
• β: 90.347 ± 0.002°
• γ: 90°
• Cell volume: 2010.78 ± 0.08 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0575
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No