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Information card for entry 7151652
Preview
| Coordinates | 7151652.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205752 (current) | 2018-01-26 | cif/7 Fixing some Z values and formulae |
7151652.cif |
| 180302 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/16. |
7151652.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151652.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151652.cif |
| 14975 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7151651, 7151652, 7151653, 7151654, 7151655 via cif-deposit CGI script. |
7151652.cif |
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