Information card for entry 7152314

Structure parameters

• Common name: phenylacetyl-(5,5',6,6'-tetramethyl-3,3'-di-tert-butyl-1,1'-biphenyl-2,2'-diyl)phosphite
• Chemical name: 4,8-di-tert-butyl-1,2,10,11-tetramethyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl 2-phenylacetate
• Formula: C32 H39 O4 P
• Calculated formula: C32 H39 O4 P
• SMILES: p1(oc2c(c3c(o1)c(cc(c3C)C)C(C)(C)C)c(c(cc2C(C)(C)C)C)C)OC(=O)Cc1ccccc1
• Title of publication: Phosphorus containing mixed anhydrides-their preparation, labile behaviour and potential routes to their stabilisation.
• Authors of publication: Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 18
• Pages of publication: 3677 - 3688
• a: 10.82 ± 0.007 Å
• b: 16.178 ± 0.01 Å
• c: 15.982 ± 0.01 Å
• α: 90°
• β: 98.366 ± 0.017°
• γ: 90°
• Cell volume: 2768 ± 3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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 all reflections: 0.2445
• Residual factor for significantly intense reflections: 0.1477
• Weighted residual factors for significantly intense reflections: 0.3207
• Weighted residual factors for all reflections included in the refinement: 0.3668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No