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Information card for entry 2230193
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| Coordinates | 2230193.cif |
|---|---|
| Structure factors | 2230193.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 3-[(Cyclohexylidene)amino]-1-(4-methylphenyl)thiourea |
|---|---|
| Formula | C14 H19 N3 S |
| Calculated formula | C14 H19 N3 S |
| SMILES | S=C(Nc1ccc(cc1)C)NN=C1CCCCC1 |
| Title of publication | 3-[(Cyclohexylidene)amino]-1-(4-methylphenyl)thiourea |
| Authors of publication | Zhang, Yan-Ling; Zhang, Xiao-Wei; Zhang, Fu-Juan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | o1268 |
| a | 14.9151 ± 0.0004 Å |
| b | 22.5593 ± 0.0005 Å |
| c | 17.1642 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5775.3 ± 0.2 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 73 |
| Hermann-Mauguin space group symbol | I b c a |
| Hall space group symbol | -I 2b 2c |
| Residual factor for all reflections | 0.0658 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1476 |
| Weighted residual factors for all reflections included in the refinement | 0.1616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 1.54184 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. |
2230193.cif 2230193.hkl |
| 181223 | 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 2/23/01. |
2230193.cif 2230193.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. |
2230193.cif 2230193.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230193.cif 2230193.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. | 2230193.cif 2230193.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230193.cif 2230193.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230193.cif 2230193.hkl |
| 20273 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2230193 via cif-deposit CGI script. |
2230193.cif |
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Users of the data should acknowledge the original authors of the
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