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Information card for entry 8102105
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| Coordinates | 8102105.cif |
|---|
| Formula | C14 H29 N O5 S Si |
|---|---|
| Calculated formula | C14 H29 N O5 S Si |
| SMILES | [C@]1(CO[C@H](C(C)C)N1S(CC[Si](C)(C)C)(=O)=O)(C)C(=O)OC.[C@@]1(CO[C@@H](C(C)C)N1S(CC[Si](C)(C)C)(=O)=O)(C)C(=O)OC |
| Title of publication | Crystal structure of (2R*,4S*)-methyl 2-isopropyl-4-methyl-3-(2- (trimethylsilyl)ethylsulfonyl)-1,3-oxazolidine-4-carboxylate, C~14~H~29~NO~5~SSi |
| Authors of publication | Tatarov, E.; Bruhn, C.; Frauenrath, H. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 2 |
| Pages of publication | 141 - 142 |
| a | 6.13 ± 0.0006 Å |
| b | 11.2647 ± 0.0012 Å |
| c | 15.1974 ± 0.0017 Å |
| α | 107.647 ± 0.008° |
| β | 95.494 ± 0.009° |
| γ | 102.445 ± 0.008° |
| Cell volume | 961.8 ± 0.19 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0586 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1404 |
| Weighted residual factors for all reflections included in the refinement | 0.1464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102105.cif |
| 176466 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102105.cif |
| 108257 | 2014-03-29 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102105.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102105.cif |
| 12844 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102105 via cif-deposit CGI script. |
8102105.cif |
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