Information card for entry 4313411

Structure parameters

• Formula: C19 H15 N2 P
• Calculated formula: C19 H15 N2 P
• SMILES: P(Nc1c(cccc1)C#N)(c1ccccc1)c1ccccc1
• Title of publication: Understanding Structure Does Not Always Explain Reactivity: A Phosphinoamide Anion Reacts as an Iminophosphide Anion
• Authors of publication: Zhaofu Fei; Rosario Scopelliti; Paul J. Dyson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2125 - 2130
• a: 8.5332 ± 0.0008 Å
• b: 9.5074 ± 0.0009 Å
• c: 11.2744 ± 0.0014 Å
• α: 94.107 ± 0.012°
• β: 111.894 ± 0.009°
• γ: 107.422 ± 0.008°
• Cell volume: 792.23 ± 0.17 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No