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Information card for entry 2233053
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| Coordinates | 2233053.cif |
|---|---|
| Structure factors | 2233053.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tris{2-[(2,6-dimethylphenyl)amino]ethyl}amine |
|---|---|
| Formula | C30 H42 N4 |
| Calculated formula | C30 H42 N4 |
| SMILES | Cc1cccc(c1NCCN(CCNc1c(C)cccc1C)CCNc1c(C)cccc1C)C |
| Title of publication | Tris{2-[(2,6-dimethylphenyl)amino]ethyl}amine |
| Authors of publication | Moroz, Yurii S.; Takase, Michael K.; Müller, Peter; Rybak-Akimova, Elena V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | o3421 |
| a | 14.288 ± 0.0007 Å |
| b | 14.288 ± 0.0007 Å |
| c | 22.3811 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3956.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0488 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.1066 |
| Weighted residual factors for all reflections included in the refinement | 0.1128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181252 (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 2/23/30. |
2233053.cif 2233053.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. |
2233053.cif 2233053.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233053.cif 2233053.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. | 2233053.cif 2233053.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2233053.cif 2233053.hkl |
| 31948 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2233053 via cif-deposit CGI script. |
2233053.cif |
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Users of the data should acknowledge the original authors of the
structural data.