Information card for entry 7052962

Structure parameters

• Formula: C20 H20 N O P
• Calculated formula: C20 H20 N O P
• SMILES: P(=O)(Nc1c(C)cccc1C)(c1ccccc1)c1ccccc1
• Title of publication: N-(2,6-Dimethylphenyl)diphenylphosphinamine chalcogenides (S, Se) and a zirconium complex possessing phosphanylamide in the coordination sphere
• Authors of publication: Naktode, Kishor; Kottalanka, Ravi K.; Panda, Tarun K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 11
• Pages of publication: 2280
• a: 9.068 ± 0.005 Å
• b: 19.055 ± 0.005 Å
• c: 20.228 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3495 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No