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Information card for entry 2020208
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| Coordinates | 2020208.cif |
|---|---|
| Structure factors | 2020208.hkl |
| Original IUCr paper | HTML |
| Common name | raffinose 4.433-hydrate |
|---|---|
| Chemical name | <i>O</i>-α-<i>D</i>-Galactopyranosyl-(1 →6)-α-<i>D</i>-glucopyranosyl-(1 →2)-β-<i>D</i>-fructofuranose 4.433-hydrate |
| Formula | C18 H40.866 O20.433 |
| Calculated formula | C18 H40.866 O20.433 |
| Title of publication | Dehydration of raffinose pentahydrate: structures of raffinose 5-, 4.433-, 4.289- and 4.127-hydrate at 93K |
| Authors of publication | Viriyarattanasak, Chotika; Shiro, Motoo; Munekawa, Shigeru; Franks, Felix; Ikeda, Satomi; Kajiwara, Kazuhito |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| a | 8.91348 ± 0.00016 Å |
| b | 12.2915 ± 0.0002 Å |
| c | 23.6567 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2591.83 ± 0.1 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 3 |
| 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 | 0.0479 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1011 |
| Weighted residual factors for all reflections included in the refinement | 0.1018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.19 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181872 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/02 |
2020208.cif 2020208.hkl |
| 167922 | 2015-10-14 | cif/ hkl/ Adding structures of 2020207, 2020208, 2020209, 2020210 via cif-deposit CGI script. |
2020208.cif 2020208.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.