Information card for entry 7151655

Structure parameters

• Formula: C68 H57 N4 O14 Pr Zn2
• Calculated formula: C68 H57 N4 O14 Pr Zn2
• SMILES: [Pr]12345([O]=C(O[Zn]6([n]7cccc8ccc9ccc[n]6c9c78)(OC(=[O]1)c1ccc(cc1)C)[O]2C(=O)C)c1ccc(cc1)C)([O]=C([O]3)C)[O]=C(O[Zn]1([n]2cccc3ccc6ccc[n]1c6c23)(OC(=[O]4)c1ccc(cc1)C)OC(=[O]5)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: A novel synthesis of oxazolidine-2,4-diones via an efficient fixation of CO2 with 3-aryl-2-alkynamides.
• Authors of publication: Chen, Guofei; Fu, Chunling; Ma, Shengming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 105 - 110
• a: 10.719 ± 0.002 Å
• b: 21.494 ± 0.004 Å
• c: 26.116 ± 0.005 Å
• α: 90°
• β: 90.83 ± 0.03°
• γ: 90°
• Cell volume: 6016 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0973
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No