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Information card for entry 4503550
Preview
| Coordinates | 4503550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,4-benzenedimethanol trans-1,2-cyclohexanediamine co-crystal |
|---|---|
| Chemical name | 1,4-benzenedimethanol trans-1,2-cyclohexanediamine co-crystal |
| Formula | C14 H24 N2 O2 |
| Calculated formula | C14 H24 N2 O2 |
| Title of publication | Efficient Isomeric Enrichment in Cocrystals of Cyclohexanediamines and Low Molecular Weight Diols |
| Authors of publication | Scott, Janet L.; Hachiken, Satoshi; Tanaka, Koichi |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 7 |
| Pages of publication | 2447 |
| a | 5.049 ± 0.001 Å |
| b | 10.4 ± 0.002 Å |
| c | 13.804 ± 0.003 Å |
| α | 98.83 ± 0.03° |
| β | 99.36 ± 0.03° |
| γ | 91.31 ± 0.03° |
| Cell volume | 705.9 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1047 |
| Residual factor for significantly intense reflections | 0.0618 |
| Weighted residual factors for significantly intense reflections | 0.1439 |
| Weighted residual factors for all reflections included in the refinement | 0.1707 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179569 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/35. |
4503550.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4503550.cif |
| 41624 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503550, 4503551 via cif-deposit CGI script. |
4503550.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.