Information card for entry 7022544

Structure parameters

• Formula: C68 H114 O10 Sr2
• Calculated formula: C68 H114 O10 Sr2
• SMILES: [Sr]123([O]([Sr]45([O]1c1c(cc(cc1)C(C)(C)C)C(C)(C)C)([O]2c1c(cc(cc1)C(C)(C)C)C(C)(C)C)([O](CC[O]4C)C)[O](C)CC[O]5C)c1ccc(cc1C(C)(C)C)C(C)(C)C)(Oc1c(cc(cc1)C(C)(C)C)C(C)(C)C)[O](C)CC[O]3C
• Title of publication: Synthesis and structures of calcium and strontium 2,4-di-tert-butylphenolates and their reactivity towards the amine co-initiated ring-opening polymerisation of rac-lactide.
• Authors of publication: Clark, Lawrence; Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Mountford, Philip; Townley, Josh P.; Wang, Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 25
• Pages of publication: 9294 - 9312
• a: 16.312 ± 0.003 Å
• b: 25.924 ± 0.005 Å
• c: 16.982 ± 0.003 Å
• α: 90°
• β: 96.27 ± 0.03°
• γ: 90°
• Cell volume: 7138 ± 2 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.109
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No