Information card for entry 4305446

Structure parameters

• Formula: C20 H33 N P2
• Calculated formula: C20 H33 N P2
• SMILES: N1(C(=Pc2ccccc12)P(C(C)(C)C)C(C)(C)C)CC(C)(C)C
• Title of publication: Bulky N-Substituted 1,3-Benzazaphospholes: Access via Pd-Catalyzed C-N and C-P Cross Coupling, Lithiation, and Conversion to Novel P=C-PtBu2 Hybrid Ligands
• Authors of publication: Bhaskar Reddy Aluri; Markus K. Kindermann; Peter G. Jones; Ina Dix; Joachim Heinicke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6900 - 6912
• a: 8.5309 ± 0.0003 Å
• b: 14.3944 ± 0.0003 Å
• c: 17.0277 ± 0.0004 Å
• α: 90°
• β: 102.702 ± 0.002°
• γ: 90°
• Cell volume: 2039.78 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No