Information card for entry 2003746

Structure parameters

• Formula: C33 H50 O6 P2
• Calculated formula: C33 H50 O6 P2
• SMILES: CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C
• Title of publication: Bis(2,4-di-<i>tert</i>-butylphenyl) Pentaerythritol Diphosphite
• Authors of publication: Barren, J. P.; Bryant, G. L.; Garbauskas, M. F.; Mahood, J. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1636 - 1639
• a: 78.98 ± 0.04 Å
• b: 5.836 ± 0.003 Å
• c: 43.68 ± 0.02 Å
• α: 90°
• β: 96.89 ± 0.03°
• γ: 90°
• Cell volume: 19988 ± 17 ų
• Cell temperature: 170 K
• Number of distinct elements: 4
• 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: 0.0553
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections: 0.1185
• Weighted residual factors for significantly intense reflections: 0.1099
• Goodness-of-fit parameter for significantly intense reflections: 1.185
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No