Information card for entry 2003523

Structure parameters

• Formula: C25 H32 O6 P2
• Calculated formula: C25 H32 O6 P2
• SMILES: P1(OCC23COP(OC2)OC3)Oc2c(cc(cc2C(c2c(O1)c(cc(c2)C)C)C(C)C)C)C
• Title of publication: [4,4',6,6'-Tetramethyl-(2,2'-isobutylidenedi-<i>o</i>-phenylene)] (2,6,7-Trioxa-1-phosphabicyclo[2.2.2]oct-4-ylmethyl) Phosphite, C~25~H~32~P~2~O~6~
• Authors of publication: Elnagar, H. Y.; Layman, W. J.; Fronczek, F. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 6
• Pages of publication: 1177 - 1179
• a: 11.9111 ± 0.001 Å
• b: 16.036 ± 0.002 Å
• c: 13.1202 ± 0.0009 Å
• α: 90°
• β: 93.761 ± 0.006°
• γ: 90°
• Cell volume: 2500.6 ± 0.4 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for significantly intense reflections: 2.762
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No