Information card for entry 4087940

Structure parameters

• Formula: C38 H30 Cl2 N2 P2
• Calculated formula: C38 H30 Cl2 N2 P2
• SMILES: c1(ccccc1)[P+]1(c2ccccc2)c2ccccc2NC2=C1Nc1c(cccc1)[P+]2(c1ccccc1)c1ccccc1.[Cl-].[Cl-]
• Title of publication: The Chemistry of ortho-(Diarylphosphino)aryl Isocyanides
• Authors of publication: Zhang, Lujun; Yu, Wenfei; Liu, Changchun; Xu, Youzhi; Duan, Zheng; Mathey, Francois
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 24
• Pages of publication: 5697
• a: 14.5972 ± 0.0003 Å
• b: 14.7429 ± 0.0003 Å
• c: 18.6732 ± 0.0004 Å
• α: 90°
• β: 106.922 ± 0.003°
• γ: 90°
• Cell volume: 3844.57 ± 0.15 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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: 0.0951
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.2442
• Weighted residual factors for all reflections included in the refinement: 0.2617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No