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Information card for entry 1501543
Preview
| Coordinates | 1501543.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C178 H191 N O13 |
|---|---|
| Calculated formula | C178 H191 N O13 |
| SMILES | c1(ccc(cc1)c1c(c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)N(c1ccc(cc1)c1c(c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)c1c(c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1 |
| Title of publication | Triarylamines Designed to Form Molecular Glasses. Derivatives of Tris(p-terphenyl-4-yl)amine with Multiple Contiguous Phenyl Substituents |
| Authors of publication | Gagnon, Eric; Maris, Thierry; Wuest,James D |
| Journal of publication | Organic Letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Pages of publication | 404 - 407 |
| a | 16.8098 ± 0.0013 Å |
| b | 10.8804 ± 0.0009 Å |
| c | 40.022 ± 0.003 Å |
| α | 90° |
| β | 95.523 ± 0.003° |
| γ | 90° |
| Cell volume | 7285.9 ± 1 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0904 |
| Residual factor for significantly intense reflections | 0.0798 |
| Weighted residual factors for significantly intense reflections | 0.2068 |
| Weighted residual factors for all reflections included in the refinement | 0.2188 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1501543.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1501543.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501543.cif |
| 26744 | 2011-09-25 | ../uploads/cif-deposit/cod/cif Adding structures of 1501543 via cif-deposit CGI script. |
1501543.cif |
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