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Information card for entry 2017653
Preview
| Coordinates | 2017653.cif |
|---|---|
| Structure factors | 2017653.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | <i>N</i>-{(5<i>S</i>)-3-[4-(5,6-dihydro-2<i>H</i>,4<i>H</i>-2- methylpyrrolo[3,4-<i>c</i>]pyrazol-5-yl)-3-fluorophenyl]-2-oxo-1,3- oxazolidin-5-yl}acetamide |
|---|---|
| Formula | C18 H20 F N5 O3 |
| Calculated formula | C18 H20 F N5 O3 |
| SMILES | Fc1c(N2Cc3nn(cc3C2)C)ccc(N2C[C@@H](OC2=O)CNC(=O)C)c1 |
| Title of publication | A novel oxazolidinone antibiotic: RWJ-416457 |
| Authors of publication | Cheung, Eugene Y.; Peterson, Matthew L.; Chiarella, Renato; Foxman, Bruce M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 5 |
| Pages of publication | o249 - o251 |
| a | 4.8358 ± 0.0017 Å |
| b | 10.293 ± 0.004 Å |
| c | 17.403 ± 0.006 Å |
| α | 90° |
| β | 97.524 ± 0.01° |
| γ | 90° |
| Cell volume | 858.8 ± 0.5 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0852 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for all reflections | 0.0868 |
| Weighted residual factors for significantly intense reflections | 0.0744 |
| Weighted residual factors for all reflections included in the refinement | 0.0868 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9625 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2017653.cif 2017653.hkl |
| 201957 | 2017-10-13 | cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2017653.cif 2017653.hkl |
| 180845 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/76. |
2017653.cif 2017653.hkl |
| 176435 | 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. |
2017653.cif 2017653.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017653.cif 2017653.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2017653.cif 2017653.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017653.cif 2017653.hkl |
| 1208 | 2010-06-08 | hkl/2/ Adding Fobs data for the most recent Acta Cryst. deposition. |
2017653.cif 2017653.hkl |
| 1190 | 2010-06-06 | cif/2/ Adding files from Acta-Cryst-C-2010_05 processing. |
2017653.cif |
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Users of the data should acknowledge the original authors of the
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