Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2236215
Preview
| Coordinates | 2236215.cif |
|---|---|
| Structure factors | 2236215.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 4,4'-Diethyl-2,2'-[(<i>N</i>-cyclohexylimino)bis(methylene)]diphenol |
|---|---|
| Formula | C24 H33 N O2 |
| Calculated formula | C24 H33 N O2 |
| SMILES | N(Cc1c(O)ccc(c1)CC)(C1CCCCC1)Cc1cc(ccc1O)CC |
| Title of publication | 4,4'-Diethyl-2,2'-[(<i>N</i>-cyclohexylimino)bis(methylene)]diphenol |
| Authors of publication | Wattanathana, Worawat; Veranitisagul, Chatchai; Kaewvilai, Attaphon; Laobuthee, Apirat; Koonsaeng, Nattamon |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | o3050 |
| a | 9.4224 ± 0.0012 Å |
| b | 10.3799 ± 0.0016 Å |
| c | 11.8143 ± 0.0018 Å |
| α | 82.14 ± 0.004° |
| β | 73.96 ± 0.004° |
| γ | 81.676 ± 0.004° |
| Cell volume | 1093.1 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0859 |
| Residual factor for significantly intense reflections | 0.0595 |
| Weighted residual factors for significantly intense reflections | 0.1649 |
| Weighted residual factors for all reflections included in the refinement | 0.1846 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
2236215.cif 2236215.hkl |
| 181284 | 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 2/23/62. |
2236215.cif 2236215.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. |
2236215.cif 2236215.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236215.cif 2236215.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. | 2236215.cif 2236215.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236215.cif 2236215.hkl |
| 69784 | 2012-12-21 | cif/ Adding structures of 2236215 via cif-deposit CGI script. |
2236215.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.