Information card for entry 4318543

Structure parameters

• Formula: C27 H36 N3 P
• Calculated formula: C27 H36 N3 P
• SMILES: P(c1ccccc1CN(C)C)(c1ccccc1CN(C)C)c1ccccc1CN(C)C
• Title of publication: Pseudoheptacoordination and Pseudohexacoordination in Tris(2-N,N-dimethylbenzylamino)phosphane
• Authors of publication: A. Chandrasekaran; Natalya V. Timosheva; Roberta O. Day; Robert R. Holmes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5235 - 5240
• a: 9.0437 ± 0.0002 Å
• b: 15.2843 ± 0.0004 Å
• c: 19.1945 ± 0.0005 Å
• α: 90°
• β: 103.134 ± 0.0011°
• γ: 90°
• Cell volume: 2583.78 ± 0.11 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No