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Information card for entry 8102104
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| Coordinates | 8102104.cif |
|---|
| Chemical name | N-(2-tert-butyl-5-methyl-4H-1,3-dioxin-4-yl)-2-(trimethylsilyl)- ethanesulfonamide |
|---|---|
| Formula | C14 H29 N O4 S Si |
| Calculated formula | C14 H29 N O4 S Si |
| SMILES | [C@H]1(C(=CO[C@@H](C(C)(C)C)O1)C)NS(=O)(=O)CC[Si](C)(C)C.[C@@H]1(C(=CO[C@H](C(C)(C)C)O1)C)NS(=O)(=O)CC[Si](C)(C)C |
| Title of publication | Crystal structure of N-((2R*,4S*)-2-tert-butyl-5-methyl-4H-1,3-dioxin- 4-yl)-2-(trimethylsilyl)ethanesulfonamide, C~14~H~29~NO~4~Si |
| 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 | 139 - 140 |
| a | 35.939 ± 0.002 Å |
| b | 10.4219 ± 0.0007 Å |
| c | 10.1829 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3814 ± 0.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0633 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.1047 |
| 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 |
|---|---|---|---|
| 176466 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102104.cif |
| 108257 | 2014-03-29 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102104.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102104.cif |
| 12843 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102104 via cif-deposit CGI script. |
8102104.cif |
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