Information card for entry 7152315

Structure parameters

• Common name: Phenylacetyl(3,3',5,5'-Tetra-tert-butyl-1,1'-biphenyl-2,2'-diyl)phosphite
• Chemical name: 2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl 2-phenylacetate
• Formula: C36 H47 O4 P
• Calculated formula: C36 H47 O4 P
• SMILES: p1(oc2c(c3c(o1)c(cc(c3)C(C)(C)C)C(C)(C)C)cc(cc2C(C)(C)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: 10.232 ± 0.003 Å
• b: 12.846 ± 0.004 Å
• c: 13.644 ± 0.002 Å
• α: 78.15 ± 0.02°
• β: 68.93 ± 0.02°
• γ: 86.69 ± 0.02°
• Cell volume: 1637.6 ± 0.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2018
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No