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Information card for entry 2019117
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| Coordinates | 2019117.cif |
|---|---|
| Structure factors | 2019117.hkl |
| Original IUCr paper | HTML |
| Chemical name | (3<i>S</i>,3a<i>S</i>,5<i>R</i>,6<i>R</i>,6a<i>S</i>)-5-[methoxy(methyl)amino]-3,6-bis[(triethylsilyl)oxy]-hexahydrofuro[3,2-<i>b</i>]furan-2-one |
|---|---|
| Formula | C20 H41 N O6 Si2 |
| Calculated formula | C20 H41 N O6 Si2 |
| Title of publication | A fused [3.3.0]-neoglycoside lactone derived from glucuronic acid |
| Authors of publication | Schombs, Matthew W.; Davis, Ryan A.; Fettinger, James C.; Gervay-Hague, Jacquelyn |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | 1062 - 1066 |
| a | 12.0523 ± 0.0008 Å |
| b | 28.1562 ± 0.0019 Å |
| c | 14.5558 ± 0.001 Å |
| α | 90° |
| β | 90.022 ± 0.003° |
| γ | 90° |
| Cell volume | 4939.5 ± 0.6 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 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 | 0.047 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1158 |
| Weighted residual factors for all reflections included in the refinement | 0.1164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180860 (current) | 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 2/01/91. |
2019117.cif 2019117.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019117.cif 2019117.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2019117.cif 2019117.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2019117.cif 2019117.hkl |
| 88598 | 2013-10-02 | cif/ Adding structures of 2019117 via cif-deposit CGI script. |
2019117.cif |
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Users of the data should acknowledge the original authors of the
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