Information card for entry 4124148

Structure parameters

• Formula: C59 H48 B Cl2 F15 O3 Si Zr
• Calculated formula: C59 H48 B Cl2 F15 O3 Si Zr
• SMILES: [Zr]123456789([c]%10([Si]([c]%115[cH]6[cH]7[c]58[c]9%11ccc6c5cccc6)(C)C)[c]51ccc1ccccc1[c]25[cH]3[cH]4%10)([O]1CCCC1)OC(=C(C)C)OC(C)C.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)C.C(Cl)Cl
• Title of publication: Chemoselective, Stereospecific, and Living Polymerization of Polar Divinyl Monomers by Chiral Zirconocenium Catalysts.
• Authors of publication: Vidal, Fernando; Gowda, Ravikumar R.; Chen, Eugene Y.-X.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 29
• Pages of publication: 9469 - 9480
• a: 14.6799 ± 0.0011 Å
• b: 14.8636 ± 0.0011 Å
• c: 16.1127 ± 0.0011 Å
• α: 89.566 ± 0.004°
• β: 68.846 ± 0.004°
• γ: 62.936 ± 0.003°
• Cell volume: 2867.4 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No