Information card for entry 7107055

Structure parameters

• Formula: C99 H134 Hf2 N2 O8
• Calculated formula: C99 H134 Hf2 N2 O8
• Title of publication: Group 4 initiators for the production of syndiotactically enriched polybutyrolacton
• Authors of publication: Ben J. Jeffery; Emma L. Whitelaw; Daniel Garcia-Vivo; Joseph A. Stewart; Mary F. Mahon; Matthew G. Davidson; Matthew D. Jones
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 12328
• a: 12.7 ± 0.0003 Å
• b: 15.71 ± 0.0003 Å
• c: 22.595 ± 0.0006 Å
• α: 90°
• β: 91.878 ± 0.001°
• γ: 90°
• Cell volume: 4505.67 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0636
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No