Information card for entry 1514897

Structure parameters

• Formula: C34 H56 O2 Zn2
• Calculated formula: C34 H56 O2 Zn2
• SMILES: [Zn]1([O]([Zn]([O]1c1c(cc(cc1C(C)(C)C)C)C(C)(C)C)CC)c1c(cc(cc1C(C)(C)C)C)C(C)(C)C)CC
• Title of publication: Exploration of the effect of 2,6-(t-Bu)2-4-Me-C6H2OH (BHT) in chain shuttling polymerization
• Authors of publication: Descour, Camille; Sciarone, Timo J. J.; Cavallo, Dario; Macko, Tibor; Kelchtermans, Mauritz; Korobkov, Ilia; Duchateau, Robbert
• Journal of publication: Polymer Chemistry
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 17
• Pages of publication: 4718
• a: 17.7224 ± 0.0011 Å
• b: 9.6794 ± 0.0006 Å
• c: 19.248 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3301.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No