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Information card for entry 1504733
Preview
| Coordinates | 1504733.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2,4-dinitro phenyl hydorazone of (+)-2-(3-Bromopropyl)- 1-methoxyoxalylcyclopropanecarboxylic acid methyl ester |
|---|---|
| Formula | C17.25 H20 Br N4 O8.25 |
| Calculated formula | C17.25 H19 Br N4 O8.25 |
| SMILES | BrCCC[C@@H]1[C@@](C(=N\Nc2c(N(=O)=O)cc(N(=O)=O)cc2)\C(=O)OC)(C1)C(=O)OC.CO |
| Title of publication | Rhodium-catalyzed highly enantio- and diastereoselective cotrimerization of alkenes and dialkyl acetylenedicarboxylates leading to furylcyclopropanes. |
| Authors of publication | Shibata, Yu; Noguchi, Keiichi; Hirano, Masao; Tanaka, Ken |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 13 |
| Pages of publication | 2825 - 2828 |
| a | 32.6745 ± 0.0006 Å |
| b | 6.89073 ± 0.00012 Å |
| c | 18.7222 ± 0.0003 Å |
| α | 90° |
| β | 93.278 ± 0.001° |
| γ | 90° |
| Cell volume | 4208.43 ± 0.13 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0399 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.095 |
| Weighted residual factors for all reflections included in the refinement | 0.0997 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1504733.cif |
| 135583 | 2015-05-05 | cif/1-2: Fixing some formulae and Z values |
1504733.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504733.cif |
| 42325 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504733 via cif-deposit CGI script. |
1504733.cif |
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