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Information card for entry 2236055
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| Coordinates | 2236055.cif |
|---|---|
| Structure factors | 2236055.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | L-Leucinium fluoride monohydrate |
|---|---|
| Chemical name | L-Leucinium fluoride monohydrate |
| Formula | C6 H16 F N O3 |
| Calculated formula | C6 H16 F N O3 |
| SMILES | [F-].OC(=O)[C@@H]([NH3+])CC(C)C.O |
| Title of publication | <small>L</small>-Leucinium fluoride monohydrate |
| Authors of publication | Zeghouan, Ouahida; Bendjeddou, Lamia; Cherouana, Aouatef; Dahaoui, Slimane; Lecomte, Claude |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | o2959 - o2960 |
| a | 5.7058 ± 0.0001 Å |
| b | 5.8289 ± 0.0001 Å |
| c | 27.315 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 908.46 ± 0.03 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0328 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.0782 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
2236055.cif 2236055.hkl |
| 181282 | 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 2/23/60. |
2236055.cif 2236055.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2236055.cif 2236055.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236055.cif 2236055.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. | 2236055.cif 2236055.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. |
2236055.cif 2236055.hkl |
| 69593 | 2012-12-21 | cif/ Adding structures of 2236055 via cif-deposit CGI script. |
2236055.cif |
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Users of the data should acknowledge the original authors of the
structural data.