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Information card for entry 1501664
Preview
| Coordinates | 1501664.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C17 H24 Br N O4 Si |
|---|---|
| Calculated formula | C17 H24 Br N O4 Si |
| SMILES | Brc1ccc2N3C(=O)O[C@H]([C@@H]3COc2c1)CO[Si](C)(C)C(C)(C)C |
| Title of publication | Design, synthesis, and structure-activity relationship studies of highly potent novel benzoxazinyl-oxazolidinone antibacterial agents. |
| Authors of publication | Xin, Qisheng; Fan, Houxing; Guo, Bin; He, Huili; Gao, Suo; Wang, Hui; Huang, Yanqin; Yang, Yushe |
| Journal of publication | Journal of medicinal chemistry |
| Year of publication | 2011 |
| Journal volume | 54 |
| Journal issue | 21 |
| Pages of publication | 7493 - 7502 |
| a | 6.5913 ± 0.0008 Å |
| b | 15.0012 ± 0.0018 Å |
| c | 20.319 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2009.1 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0636 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.0824 |
| Weighted residual factors for all reflections included in the refinement | 0.0867 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.825 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1501664.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1501664.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501664.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501664.cif |
| 35021 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501664 via cif-deposit CGI script. |
1501664.cif |
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Users of the data should acknowledge the original authors of the
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