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Information card for entry 2231901
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| Coordinates | 2231901.cif |
|---|---|
| Structure factors | 2231901.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,3-Dicyclohexyl-3-[(pyridin-2-yl)carbonyl]urea monohydrate |
|---|---|
| Formula | C19 H29 N3 O3 |
| Calculated formula | C19 H29 N3 O3 |
| Title of publication | 1,3-Dicyclohexyl-3-[(pyridin-2-yl)carbonyl]urea monohydrate from synchrotron radiation |
| Authors of publication | Pinheiro, Alessandra C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | o2676 - o2677 |
| a | 18.639 ± 0.019 Å |
| b | 5.035 ± 0.005 Å |
| c | 21.59 ± 0.02 Å |
| α | 90° |
| β | 111.395 ± 0.009° |
| γ | 90° |
| Cell volume | 1887 ± 3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0571 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.119 |
| Weighted residual factors for all reflections included in the refinement | 0.1256 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.6905 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181241 (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 2/23/19. |
2231901.cif 2231901.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. |
2231901.cif 2231901.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231901.cif 2231901.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. | 2231901.cif 2231901.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2231901.cif 2231901.hkl |
| 29168 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2231901 via cif-deposit CGI script. |
2231901.cif |
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Users of the data should acknowledge the original authors of the
structural data.