Information card for entry 4110999

Structure parameters

• Formula: C19 H37 N2 P
• Calculated formula: C19 H37 N2 P
• SMILES: P(C1CCCCC1)(C1CCCCC1)C(=N\C(C)C)/NC(C)C
• 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: 9.9734 ± 0.0003 Å
• b: 24.3803 ± 0.0007 Å
• c: 16.6163 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4040.33 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No