Information card for entry 7131594

Structure parameters

• Chemical name: phenyldiphenylphosphine oxide
• Formula: C18 H13 O P
• Calculated formula: C18 H13 O P
• SMILES: P1(=O)(c2ccccc2c2ccccc12)c1ccccc1
• Title of publication: Co-electrocatalytic CO₂ reduction mediated by a dibenzophosphole oxide and a chromium complex.
• Authors of publication: Koellner, Connor A.; Reid, Amelia G.; Machan, Charles W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 42
• Pages of publication: 6359 - 6362
• a: 10.025 ± 0.0012 Å
• b: 9.5951 ± 0.0011 Å
• c: 14.1127 ± 0.0017 Å
• α: 90°
• β: 93.226 ± 0.004°
• γ: 90°
• Cell volume: 1355.4 ± 0.3 ų
• Cell temperature: 100.03 K
• Ambient diffraction temperature: 100.03 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: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No