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Information card for entry 2230958
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| Coordinates | 2230958.cif |
|---|---|
| Structure factors | 2230958.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(Naphthalen-1-ylamino)cyclohexanol |
|---|---|
| Formula | C16 H19 N O |
| Calculated formula | C16 H19 N O |
| SMILES | O[C@@H]1CCCC[C@H]1Nc1cccc2ccccc12.O[C@H]1CCCC[C@@H]1Nc1cccc2ccccc12 |
| Title of publication | 2-(Naphthalen-1-ylamino)cyclohexanol |
| Authors of publication | Outouch, Rachid; Boualy, Brahim; Ali, Mustapha Ait; Firdoussi, Larbi El; Rizzoli, Corrado |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | o1628 |
| a | 12.0278 ± 0.0004 Å |
| b | 11.591 ± 0.0003 Å |
| c | 9.5566 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1332.33 ± 0.07 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0302 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.0867 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181231 (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 2/23/09. |
2230958.cif 2230958.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. |
2230958.cif 2230958.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230958.cif 2230958.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. | 2230958.cif 2230958.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230958.cif 2230958.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230958.cif 2230958.hkl |
| 23288 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230958 via cif-deposit CGI script. |
2230958.cif |
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Users of the data should acknowledge the original authors of the
structural data.