Information card for entry 7249480

Structure parameters

• Formula: C18 H16 N O2 P
• Calculated formula: C18 H16 N O2 P
• Title of publication: Flow Electrosynthesis of Phosphinamides and Phosphoramidates through P–N Coupling
• Authors of publication: Boruah, Tribani; Ishizeki, Ren; Roldan, Alberto; Melen, Rebecca; Wirth, Thomas
• Journal of publication: Green Chemistry
• Year of publication: 2024
• a: 15.6012 ± 0.0012 Å
• b: 9.0207 ± 0.0005 Å
• c: 11.749 ± 0.0009 Å
• α: 90°
• β: 107.452 ± 0.008°
• γ: 90°
• Cell volume: 1577.4 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1203
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No