Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2228215
Preview
| Coordinates | 2228215.cif |
|---|---|
| Structure factors | 2228215.hkl |
| Original IUCr paper | HTML |
| Common name | Tris{2-[(2-aminobenzylidene)amino]ethyl}amine |
|---|---|
| Chemical name | 2-[({2-[bis(2-{[(2- aminophenyl)methylidene]amino}ethyl)amino]ethyl}imino)methyl]aniline |
| Formula | C27 H33 N7 |
| Calculated formula | C27 H33 N7 |
| SMILES | Nc1ccccc1/C=N/CCN(CC/N=C/c1ccccc1N)CC/N=C/c1ccccc1N |
| Title of publication | Tris{2-[(2-aminobenzylidene)amino]ethyl}amine |
| Authors of publication | Elizondo García, Mariana; Bernès, Sylvain; Pérez Rodríguez, Nancy; Elizondo Martínez, Perla |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | o3054 - o3055 |
| a | 13.1075 ± 0.0018 Å |
| b | 13.1075 ± 0.0018 Å |
| c | 25.985 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3866.3 ± 1.2 Å3 |
| Cell temperature | 300 ± 1 K |
| Ambient diffraction temperature | 300 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1058 |
| Residual factor for significantly intense reflections | 0.0578 |
| Weighted residual factors for significantly intense reflections | 0.1378 |
| Weighted residual factors for all reflections included in the refinement | 0.1755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.811 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181203 (current) | 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 2/22/82. |
2228215.cif 2228215.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. |
2228215.cif 2228215.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228215.cif 2228215.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. | 2228215.cif 2228215.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228215.cif 2228215.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228215.cif 2228215.hkl |
| 5764 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228212, 2228213, 2228214, 2228215, 2228216, 2228217, 2228218, 2228219, 2228220, 2228221 via cif-deposit CGI script. |
2228215.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.