Information card for entry 7101395

Structure parameters

• Formula: C29 H42 K N2 O P
• Calculated formula: C29 H32 K N2 O P
• Title of publication: Alkali-Metal-Catalyzed Addition of Primary and Secondary Phosphines to Carbodiimides. A General and Efficient Route to Substituted Phosphaguanidines
• Authors of publication: Zhaomin Hou.; Masayoshi Nishiura; Wen-Xiong Zhang.
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 36
• a: 11.1009 ± 0.0012 Å
• b: 19.529 ± 0.002 Å
• c: 14.3917 ± 0.0015 Å
• α: 90°
• β: 112.539 ± 0.002°
• γ: 90°
• Cell volume: 2881.6 ± 0.5 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• 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: 0.0689
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No