Information card for entry 2212075

Structure parameters

• Common name: Bis(dimethylphosphorylmethylene)durene
• Chemical name: tetramethyl (2,3,5,6-tetramethyl-p-phenylenedimethylene)bisphosphonate
• Formula: C16 H28 O6 P2
• Calculated formula: C16 H28 O6 P2
• SMILES: c1(c(c(C)c(c(c1C)C)CP(=O)(OC)OC)C)CP(=O)(OC)OC
• Title of publication: Bis(dimethylphosphorylmethyl)durene
• Authors of publication: Zeller, Matthias; Hunter, Allen D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o802 - o803
• a: 5.8561 ± 0.0004 Å
• b: 19.6347 ± 0.0014 Å
• c: 8.2554 ± 0.0006 Å
• α: 90°
• β: 105.792 ± 0.001°
• γ: 90°
• Cell volume: 913.4 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0499
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes