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Information card for entry 2240109
Preview
Coordinates | 2240109.cif |
---|---|
Structure factors | 2240109.hkl |
Original paper (by DOI) | HTML |
Common name | Potassium (1<i>R</i>)-<i>D</i>-ribit-1-ylsulfonate |
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Chemical name | Potassium (1<i>R</i>,2<i>R</i>,3<i>R</i>,4<i>R</i>)-1,2,3,4,5-pentahydroxypentane-1-sulfonate |
Formula | C5 H11 K O8 S |
Calculated formula | C5 H11 K O8 S |
SMILES | [K+].[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)(O)S(=O)(=O)[O-] |
Title of publication | Crystal structure of potassium (1<i>R</i>)-<small>D</small>-ribit-1-ylsulfonate |
Authors of publication | Haines, Alan H.; Hughes, David L. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | 11 |
Pages of publication | 406 - 409 |
a | 5.36167 ± 0.00008 Å |
b | 9.01474 ± 0.00014 Å |
c | 9.78623 ± 0.00017 Å |
α | 90° |
β | 102.814 ± 0.0016° |
γ | 90° |
Cell volume | 461.228 ± 0.013 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 1 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 | 0.0215 |
Residual factor for significantly intense reflections | 0.0207 |
Weighted residual factors for significantly intense reflections | 0.052 |
Weighted residual factors for all reflections included in the refinement | 0.0525 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mo-Kα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240109.cif 2240109.hkl |
181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240109.cif 2240109.hkl |
176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240109.cif 2240109.hkl |
125891 | 2014-10-26 | cif/ hkl/ Adding structures of 2240109 via cif-deposit CGI script. |
2240109.cif 2240109.hkl |
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Users of the data should acknowledge the original authors of the
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