Information card for entry 2228292

Structure parameters

• Chemical name: Tetraphenyl piperazine-1,4-diyldiphosphonate
• Formula: C28 H28 N2 O6 P2
• Calculated formula: C28 H28 N2 O6 P2
• SMILES: C1N(CCN(C1)P(=O)(Oc1ccccc1)Oc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
• Title of publication: Tetraphenyl piperazine-1,4-diyldiphosphonate
• Authors of publication: Pourayoubi, Mehrdad; Zargaran, Poorya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3273 - o3274
• a: 6.3117 ± 0.0004 Å
• b: 8.953 ± 0.0005 Å
• c: 22.863 ± 0.0013 Å
• α: 90°
• β: 96.756 ± 0.001°
• γ: 90°
• Cell volume: 1282.99 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0366
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes