Information card for entry 2223963

Structure parameters

• Chemical name: Bis(phenylphosphonic) anhydride
• Formula: C12 H12 O5 P2
• Calculated formula: C12 H12 O5 P2
• SMILES: P(=O)(OP(=O)(O)c1ccccc1)(O)c1ccccc1
• Title of publication: Bis(phenylphosphonic) anhydride
• Authors of publication: Li, Yang; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2647
• a: 5.651 ± 0.0007 Å
• b: 19.332 ± 0.0018 Å
• c: 24.44 ± 0.003 Å
• α: 84.701 ± 0.008°
• β: 89.192 ± 0.008°
• γ: 81.687 ± 0.007°
• Cell volume: 2630.6 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0777
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes