Information card for entry 2233914

Structure parameters

• Chemical name: Dicyclohexyl(4-isopropylphenyl)phosphane selenide
• Formula: C21 H33 P Se
• Calculated formula: C21 H33 P Se
• SMILES: P(=[Se])(C1CCCCC1)(C1CCCCC1)c1ccc(cc1)C(C)C
• Title of publication: Dicyclohexyl(4-isopropylphenyl)phosphane selenide
• Authors of publication: Makhoba, Sizwe; Muller, Alfred; Phasha, Zanele
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o648
• a: 13.1311 ± 0.001 Å
• b: 13.6991 ± 0.001 Å
• c: 11.7821 ± 0.0008 Å
• α: 90°
• β: 103.106 ± 0.002°
• γ: 90°
• Cell volume: 2064.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0324
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes