Information card for entry 4111004

Structure parameters

• Formula: C25 H45 N2 P Se
• Calculated formula: C25 H45 N2 P Se
• SMILES: [Se]=P(C1CCCCC1)(C1CCCCC1)/C(=N/C1CCCCC1)NC1CCCCC1
• Title of publication: A Conformational Study of Phospha(III)- and Phospha(V)-guanidine Compounds
• Authors of publication: Natalie E. Mansfield; Joanna Grundy; Martyn P. Coles; Anthony G. Avent; Peter B. Hitchcock
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 13879 - 13893
• a: 9.9173 ± 0.0002 Å
• b: 10.1444 ± 0.0003 Å
• c: 14.1035 ± 0.0004 Å
• α: 105.398 ± 0.001°
• β: 97.112 ± 0.001°
• γ: 104.885 ± 0.001°
• Cell volume: 1293.67 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No