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Information card for entry 2239454
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| Coordinates | 2239454.cif |
|---|---|
| Structure factors | 2239454.hkl |
| Original IUCr paper | HTML |
| Chemical name | Cyclohexylammonium nitrate |
|---|---|
| Formula | C6 H14 N2 O3 |
| Calculated formula | C6 H14 N2 O3 |
| SMILES | [NH3+]C1CCCCC1.O=N(=O)[O-] |
| Title of publication | Cyclohexylammonium nitrate |
| Authors of publication | Bagabas, Abdulaziz A.; Aboud, Mohamed F. A.; Shemsi, Ahsan M.; Addurihem, Emad S.; Al-Othman, Zeid A.; Chidan Kumar, C. S.; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o253 - o254 |
| a | 8.9322 ± 0.0009 Å |
| b | 9.901 ± 0.0009 Å |
| c | 10.3951 ± 0.001 Å |
| α | 90° |
| β | 103.866 ± 0.002° |
| γ | 90° |
| Cell volume | 892.53 ± 0.15 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0492 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.1134 |
| Weighted residual factors for all reflections included in the refinement | 0.1214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239454.cif 2239454.hkl |
| 181313 | 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 2/23/94. |
2239454.cif 2239454.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. |
2239454.cif 2239454.hkl |
| 110737 | 2014-04-19 | cif/ hkl/ Adding structures of 2239454 via cif-deposit CGI script. |
2239454.cif 2239454.hkl |
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Users of the data should acknowledge the original authors of the
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