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Information card for entry 2018296
Preview
| Coordinates | 2018296.cif |
|---|---|
| Structure factors | 2018296.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | Racemic epi-inosose |
|---|---|
| Chemical name | (2<i>RS</i>,3<i>SR</i>,5<i>SR</i>,6<i>SR</i>)-<i>epi</i>-inosose |
| Formula | C6 H10 O6 |
| Calculated formula | C6 H10 O6 |
| SMILES | O=C1[C@H](O)[C@@H](O)C(O)[C@H](O)[C@@H]1O.O=C1[C@@H](O)[C@H](O)C(O)[C@@H](O)[C@H]1O |
| Title of publication | Comparison of racemic <i>epi</i>-inosose and ({-})-<i>epi</i>-inosose |
| Authors of publication | Krishnaswamy, Shobhana; Patil, Madhuri T.; Shashidhar, Mysore S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | o435 - o438 |
| a | 11.1825 ± 0.0018 Å |
| b | 6.9752 ± 0.0012 Å |
| c | 8.793 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 685.9 ± 0.2 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0265 |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for significantly intense reflections | 0.0679 |
| Weighted residual factors for all reflections included in the refinement | 0.068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.151 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201957 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2018296.cif 2018296.hkl |
| 180851 | 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 2/01/82. |
2018296.cif 2018296.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. |
2018296.cif 2018296.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018296.cif 2018296.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018296.cif 2018296.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2018296.cif 2018296.hkl |
| 31118 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2018296 via cif-deposit CGI script. |
2018296.cif |
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.