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Information card for entry 2233978
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| Coordinates | 2233978.cif |
|---|---|
| Structure factors | 2233978.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Benzyl-4-ethylmorpholin-1-ium hexafluorophosphate |
|---|---|
| Formula | C13 H20 F6 N O P |
| Calculated formula | C13 H20 F6 N O P |
| Title of publication | 4-Benzyl-4-ethylmorpholin-1-ium hexafluorophosphate |
| Authors of publication | Yang, Fang; Zang, Hongjun; Cheng, Bowen; Xu, Xianlin; Ren, Yuanlin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | o840 |
| a | 26.054 ± 0.003 Å |
| b | 28.528 ± 0.003 Å |
| c | 16.295 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12112 ± 2 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.076 |
| Weighted residual factors for all reflections included in the refinement | 0.0781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181261 (current) | 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 2/23/39. |
2233978.cif 2233978.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. |
2233978.cif 2233978.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233978.cif 2233978.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. | 2233978.cif 2233978.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233978.cif 2233978.hkl |
| 51236 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233978 via cif-deposit CGI script. |
2233978.cif |
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Users of the data should acknowledge the original authors of the
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