Information card for entry 7249478

Structure parameters

• Formula: C12 H11 O2 P
• Calculated formula: C12 H11 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 L.; Wirth, Thomas
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 23
• Pages of publication: 11722 - 11727
• a: 11.4422 ± 0.0006 Å
• b: 6.0033 ± 0.0003 Å
• c: 15.6542 ± 0.0009 Å
• α: 90°
• β: 100.064 ± 0.005°
• γ: 90°
• Cell volume: 1058.76 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0578
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No