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Information card for entry 2018774
Preview
| Coordinates | 2018774.cif |
|---|---|
| Structure factors | 2018774.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)-2-Oxohexahydro-1<i>H</i>- thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoic acid |
|---|---|
| Formula | C10 H16 N2 O3 S |
| Calculated formula | C10 H16 N2 O3 S |
| SMILES | S1[C@@H](CCCCC(=O)O)[C@H]2NC(=O)N[C@H]2C1 |
| Title of publication | Chiral one- and two-dimensional silver(I)‒biotin coordination polymers |
| Authors of publication | Altaf, Muhammad; Stoeckli-Evans, Helen |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | 127 - 137 |
| a | 5.1955 ± 0.0006 Å |
| b | 10.3017 ± 0.0017 Å |
| c | 20.943 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1120.9 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0403 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0881 |
| Weighted residual factors for all reflections included in the refinement | 0.0896 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| 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. |
2018774.cif 2018774.hkl |
| 180856 | 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 2/01/87. |
2018774.cif 2018774.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. |
2018774.cif 2018774.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. | 2018774.cif 2018774.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2018774.cif 2018774.hkl |
| 75303 | 2013-03-09 | cif/ Adding structures of 2018774, 2018775, 2018776, 2018777, 2018778 via cif-deposit CGI script. |
2018774.cif |
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Users of the data should acknowledge the original authors of the
structural data.