Information card for entry 4069629

Structure parameters

• Formula: C24 H25 N2 O8 P
• Calculated formula: C24 H25 N2 O8 P
• SMILES: c12ccccc1O[P]13(O2)(Oc2ccccc2O1)Oc1ccccc1O3.C(N(C)C)=[OH+].C(=O)N(C)C
• Title of publication: HL2[P(1,2-O2C6H4)3] (L = DMSO or DMF): A Convenient Proton Source with a Weakly Basic Phosphorus(V) Anion
• Authors of publication: Siu, Paul W.; Gates, Derek P.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4491
• a: 11.5961 ± 0.0009 Å
• b: 14.877 ± 0.0011 Å
• c: 13.8311 ± 0.001 Å
• α: 90°
• β: 97.807 ± 0.004°
• γ: 90°
• Cell volume: 2364 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No