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Information card for entry 7151651
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| Coordinates | 7151651.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C17 H13 N O3 |
|---|---|
| Calculated formula | C17 H13 N O3 |
| SMILES | N1(C(=O)C(=C\c2ccccc2)\OC1=O)Cc1ccccc1 |
| 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 | 6.4285 ± 0.0004 Å |
| b | 31.4664 ± 0.0018 Å |
| c | 7.0702 ± 0.0004 Å |
| α | 90° |
| β | 106.517 ± 0.002° |
| γ | 90° |
| Cell volume | 1371.16 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0489 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.0989 |
| Weighted residual factors for all reflections included in the refinement | 0.1038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151651.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. |
7151651.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151651.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151651.cif |
| 14975 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7151651, 7151652, 7151653, 7151654, 7151655 via cif-deposit CGI script. |
7151651.cif |
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Users of the data should acknowledge the original authors of the
structural data.