Information card for entry 2209075

Structure parameters

• Chemical name: N,N'-Bis[(diphenylphosphinoyl)methyl]-1,4-phenylenediamine
• Formula: C32 H30 N2 O2 P2
• Calculated formula: C32 H30 N2 O2 P2
• SMILES: c1(ccccc1)P(=O)(c1ccccc1)CNc1ccc(NCP(=O)(c2ccccc2)c2ccccc2)cc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis[(diphenylphosphinoyl)methyl]-1,4-phenylenediamine
• Authors of publication: Qing-Ling Ni; Yan-Fang Liao; Xiu-Jian Wang; Xian-Shu Bi; Xiang-Gao Meng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2495 - o2496
• a: 6.0688 ± 0.0007 Å
• b: 11.0033 ± 0.0013 Å
• c: 20.759 ± 0.002 Å
• α: 90°
• β: 91.284 ± 0.002°
• γ: 90°
• Cell volume: 1385.9 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• 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: 0.1167
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.216
• Weighted residual factors for all reflections included in the refinement: 0.2513
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes