Information card for entry 7013023

Structure parameters

• Formula: C31 H24 N2 P2
• Calculated formula: C31 H24 N2 P2
• SMILES: P(N(P(c1ccccc1)c1ccccc1)c1ccc(cc1)C#N)(c1ccccc1)c1ccccc1
• Title of publication: Influence of the functional group on the synthesis of aminophosphines, diphosphinoamines and iminobiphosphines
• Authors of publication: Fei, Zhaofu; Scopelliti, Rosario; Dyson, Paul J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 13
• Pages of publication: 2772
• a: 11.397 ± 0.004 Å
• b: 11.702 ± 0.004 Å
• c: 18.829 ± 0.003 Å
• α: 90°
• β: 91.048 ± 0.019°
• γ: 90°
• Cell volume: 2510.8 ± 1.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• 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: 0.0842
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.2009
• Weighted residual factors for all reflections included in the refinement: 0.2181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No