Information card for entry 7152313

Structure parameters

• Common name: Propionyl-(5,5'6,6'-Tetramethyl-3,3'-di-tert-butyl-1,1-biphenyl)phosphite
• Chemical name: 4,8-di-tert-butyl-1,2,10,11-tetramethyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl propionate
• Formula: C27 H37 O4 P
• Calculated formula: C27 H37 O4 P
• SMILES: p1(oc2c(cc(c(c2c2c(o1)c(cc(c2C)C)C(C)(C)C)C)C)C(C)(C)C)OC(=O)CC
• 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: 15.562 ± 0.006 Å
• b: 10.686 ± 0.004 Å
• c: 15.625 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2598.4 ± 1.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1454
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.2162
• Weighted residual factors for all reflections included in the refinement: 0.2483
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No