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Information card for entry 2236407
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| Coordinates | 2236407.cif |
|---|---|
| Structure factors | 2236407.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | FK228 |
|---|---|
| Chemical name | (1<i>S</i>,4<i>S</i>,7<i>Z</i>,10<i>S</i>,16<i>E</i>,21<i>R</i>)-7- ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23- tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone |
| Formula | C24 H36 N4 O6 S2 |
| Calculated formula | C24 H36 N4 O6 S2 |
| SMILES | S1SCC/C=C/[C@H]2OC(=O)[C@@H](NC(=O)/C(=C/C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)C2)C(C)C)C1)C(C)C |
| Title of publication | FK228 from <i>Burkholderia thailandensis</i> MSMB43 |
| Authors of publication | Liu, Xiang-Yang; Wang, Cheng; Cheng, Yi-Qiang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 9 |
| Pages of publication | o2757 - o2758 |
| a | 9.1085 ± 0.0002 Å |
| b | 16.2431 ± 0.0004 Å |
| c | 9.4192 ± 0.0002 Å |
| α | 90° |
| β | 92.096 ± 0.001° |
| γ | 90° |
| Cell volume | 1392.64 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0252 |
| Residual factor for significantly intense reflections | 0.0248 |
| Weighted residual factors for significantly intense reflections | 0.0645 |
| Weighted residual factors for all reflections included in the refinement | 0.0648 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2236407.cif 2236407.hkl |
| 181286 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/64. |
2236407.cif 2236407.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2236407.cif 2236407.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236407.cif 2236407.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. | 2236407.cif 2236407.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236407.cif 2236407.hkl |
| 69977 | 2012-12-21 | cif/ Adding structures of 2236407 via cif-deposit CGI script. |
2236407.cif |
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Users of the data should acknowledge the original authors of the
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