Information card for entry 7003115

Structure parameters

• Formula: C18 H21 P Se
• Calculated formula: C18 H21 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: 15.14 ± 0.002 Å
• b: 11.6421 ± 0.0019 Å
• c: 10.158 ± 0.0017 Å
• α: 90°
• β: 107.741 ± 0.003°
• γ: 90°
• Cell volume: 1705.3 ± 0.5 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: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No