Information card for entry 2224841

Structure parameters

• Chemical name: <i>O</i>,<i>O</i>'-Di-<i>p</i>-tolylpyrophosphoric bis(dimethylamide)
• Formula: C18 H26 N2 O5 P2
• Calculated formula: C18 H26 N2 O5 P2
• SMILES: c1cc(ccc1O[P@@](=O)(N(C)C)O[P@](=O)(N(C)C)Oc1ccc(cc1)C)C.c1cc(ccc1O[P@](=O)(N(C)C)O[P@@](=O)(N(C)C)Oc1ccc(cc1)C)C
• Title of publication: <i>O</i>,<i>O</i>'-Di-<i>p</i>-tolylpyrophosphoric bis(dimethylamide)
• Authors of publication: Pourayoubi, Mehrdad; Ghadimi, Saied; Ebrahimi Valmoozi, Ali Asghar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o450
• a: 26.484 ± 0.005 Å
• b: 7.4195 ± 0.0015 Å
• c: 11.096 ± 0.002 Å
• α: 90°
• β: 112.949 ± 0.004°
• γ: 90°
• Cell volume: 2007.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes