Information card for entry 7706877

Structure parameters

• Formula: C32 H42 O Zr
• Calculated formula: C32 H42 O Zr
• SMILES: [c]12([c]3([c]4([c]56[c]7([c]8([c]9([c]15[Zr]15%10%112346789([c]2([cH]%11[cH]%10[cH]5[cH]12)C)Oc1c(cccc1C(C)C)C(C)C)C)C)C)C)C)C
• Title of publication: Ring-opening polymerisation of l- and rac-lactide using group 4 permethylpentalene aryloxides and alkoxides.
• Authors of publication: Turner, Zoë R; Lamb, Jessica V.; Robinson, Thomas P.; Mandal, Dipa; Buffet, Jean-Charles; O Hare, Dermot
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 14
• Pages of publication: 4805 - 4818
• a: 8.9476 ± 0.0002 Å
• b: 10.3488 ± 0.0003 Å
• c: 16.0319 ± 0.0004 Å
• α: 92.631 ± 0.002°
• β: 92.145 ± 0.002°
• γ: 115.499 ± 0.002°
• Cell volume: 1335.8 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.9 ± 0.3 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: 0.0374
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No