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Information card for entry 7202841
Preview
| Coordinates | 7202841.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | 2-aminoethane sulfonic acid |
|---|---|
| Chemical name | 2-aminoethane sulfonic acid |
| Formula | C2 H7 N O3 S |
| Calculated formula | C2 H7 N O3 S |
| SMILES | S(=O)(=O)([O-])CC[NH3+] |
| Title of publication | X-Ray induced radiation damage in taurine: a combined X-ray diffraction and Raman study. |
| Authors of publication | Beukes, J. A.; Mo, F.; van Beek, W. |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 33 |
| Pages of publication | 4709 - 4720 |
| a | 5.2737 ± 0.001 Å |
| b | 11.658 ± 0.002 Å |
| c | 7.7995 ± 0.0015 Å |
| α | 90° |
| β | 94.07 ± 0.015° |
| γ | 90° |
| Cell volume | 478.31 ± 0.15 Å3 |
| Cell temperature | 120 ± 0.2 K |
| Ambient diffraction temperature | 120 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0353 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7202841.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7202841.cif |
| 180359 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/28. |
7202841.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202841.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202841.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7202841.cif |
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