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Information card for entry 4025744
Preview
| Coordinates | 4025744.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H19 Cl2 N O2 |
|---|---|
| Calculated formula | C24 H19 Cl2 N O2 |
| SMILES | Cl[C@]12C(=O)N([C@@]2(OC[C@@H]1[C@@H](Cl)c1ccccc1)c1ccccc1)c1ccccc1.Cl[C@@]12C(=O)N([C@]2(OC[C@H]1[C@H](Cl)c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis of Chlorinated Bicyclic C-Fused Tetrahydrofuro[3,2-c]azetidin-2-ones |
| Authors of publication | Ram N. Ram; Neeraj Kumar; Nem Singh |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2010 |
| Journal volume | 75 |
| Pages of publication | 7408 - 7411 |
| a | 11.4549 ± 0.0011 Å |
| b | 16.0115 ± 0.0016 Å |
| c | 11.6598 ± 0.0012 Å |
| α | 90° |
| β | 104.85 ± 0.002° |
| γ | 90° |
| Cell volume | 2067.1 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0402 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0922 |
| Weighted residual factors for all reflections included in the refinement | 0.0945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301812 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
4025744.cif |
| 178436 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/57. |
4025744.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4025744.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4025744.cif |
| 11549 | 2011-02-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4025744 via cif-deposit CGI script. |
4025744.cif |
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