Information card for entry 7115616

Structure parameters

• Formula: C66 H101 N2 O5 Y
• Calculated formula: C66 H54 N2 O5 Y
• Title of publication: Catalytic production of cyclic carbonates mediated by lanthanide phenolates under mild conditions
• Authors of publication: Jie Qin; Peng Wang; Qingyan Li; Yong Zhang; Dan Yuan; Yingming Yao
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 10952
• a: 11.6333 ± 0.0004 Å
• b: 15.0256 ± 0.0004 Å
• c: 21.5946 ± 0.0008 Å
• α: 94.787 ± 0.008°
• β: 104.996 ± 0.008°
• γ: 111.655 ± 0.009°
• Cell volume: 3320.8 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1933
• Residual factor for significantly intense reflections: 0.1248
• Weighted residual factors for significantly intense reflections: 0.2897
• Weighted residual factors for all reflections included in the refinement: 0.3333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No