Information card for entry 2200424

Structure parameters

• Chemical name: 3-(Diphenylphosphino)-N-phenylmethylene-1-propanamine
• Formula: C22 H22 N P
• Calculated formula: C22 H22 N P
• SMILES: P(c1ccccc1)(c1ccccc1)CCC\N=C\c1ccccc1
• Title of publication: <i>N</i>-Benzylidene-3-(diphenylphosphino)-1-propanamine
• Authors of publication: Xie Tong; Li Yi-Zhi; Li Bang-Jing; Shi Ling; Wang Liu-Fang; Gao Shi-Yang; Liang Yong-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: o858 - o859
• a: 5.768 ± 0.002 Å
• b: 17.702 ± 0.003 Å
• c: 17.823 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1819.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0359
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes