Information card for entry 7151652

Structure parameters

• Formula: C104 H86 N4 Nd2 O20 Zn2
• Calculated formula: C104 H85 N4 Nd2 O20 Zn2
• SMILES: [Nd]12345([O]=C(O[Zn]6([n]7c8c9[n]6cccc9ccc8ccc7)([O]=C(O4)c4ccc(cc4)C)[O]=C(O5)c4ccc(cc4)C)c4ccc(C)cc4)[O]=C(O[Nd]45([O]=C(O[Zn]6([n]7cccc8c7c7[n]6cccc7cc8)(OC(=[O]4)c4ccc(cc4)C)[O]=C(O5)c4ccc(cc4)C)c4ccc(cc4)C)([O]=C(O1)c1ccc(cc1)C)([O]=C(O2)c1ccc(cc1)C)OC(=[O]3)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: 23.576 ± 0.003 Å
• b: 16.388 ± 0.002 Å
• c: 24.599 ± 0.003 Å
• α: 90°
• β: 91.441 ± 0.002°
• γ: 90°
• Cell volume: 9501 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No