Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2228721
Preview
| Coordinates | 2228721.cif |
|---|---|
| Structure factors | 2228721.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 2-((<i>Z</i>)-{3-[(<i>Z</i>)-(2-Hydroxy-5-methylbenzylidene)amino]-2,2-dimethylpropyl}iminomethyl)-4-methylphenol |
|---|---|
| Formula | C21 H26 N2 O2 |
| Calculated formula | C21 H26 N2 O2 |
| SMILES | Oc1ccc(cc1/C=N/CC(C)(C)C/N=C/c1cc(ccc1O)C)C |
| Title of publication | 2-((<i>Z</i>)-{3-[(<i>Z</i>)-(2-Hydroxy-5-methylbenzylidene)amino]-2,2-dimethylpropyl}iminomethyl)-4-methylphenol |
| Authors of publication | Kia, Reza; Kargar, Hadi; Mirkhani, Valiollah; Ganji, Fatemeh; Tahir, Muhammad Nawaz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | o130 |
| a | 5.895 ± 0.0003 Å |
| b | 17.8634 ± 0.001 Å |
| c | 18.214 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1918.02 ± 0.19 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0885 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.0932 |
| Weighted residual factors for all reflections included in the refinement | 0.1118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201978 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/22 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2228721.cif 2228721.hkl |
| 181208 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/87. |
2228721.cif 2228721.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228721.cif 2228721.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2228721.cif 2228721.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228721.cif 2228721.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. | 2228721.cif 2228721.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228721.cif 2228721.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228721.cif 2228721.hkl |
| 9854 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228721 via cif-deposit CGI script. |
2228721.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.