Information card for entry 7003116

Structure parameters

• Formula: C18 H27 P Se
• Calculated formula: C18 H27 P Se
• SMILES: [Se]=P(C1CCCCC1)(C1CCCCC1)c1ccccc1
• Title of publication: Rapid phosphorus(iii) ligand evaluation utilising potassium selenocyanate
• Authors of publication: Muller, Alfred; Otto, Stefanus; Roodt, Andreas
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 5
• Pages of publication: 650 - 657
• a: 11.1 ± 0.002 Å
• b: 13.668 ± 0.003 Å
• c: 11.773 ± 0.002 Å
• α: 90°
• β: 98.26 ± 0.03°
• γ: 90°
• Cell volume: 1767.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No