Information card for entry 4001080
| Formula |
C37 H50 N4 O2 |
| Calculated formula |
C37 H50 N4 O2 |
| SMILES |
CCCCCCCCCCCCCCCCOc1ccc(cc1)c1nc2c([nH]1)c1cccnc1c1c2cccn1.CCO |
| Title of publication |
Imidazo[4,5-f]-1,10-phenanthrolines: Versatile Ligands for the Design of Metallomesogens |
| Authors of publication |
Cardinaels, Thomas; Ramaekers, Jan; Nockemann, Peter; Driesen, Kris; Van Hecke, Kristof; Van Meervelt, Luc; Lei, Shengbin; De Feyter, Steven; Guillon, Daniel; Donnio, Bertrand; Binnemans, Koen |
| Journal of publication |
Chemistry of Materials |
| Year of publication |
2008 |
| Journal volume |
20 |
| Journal issue |
4 |
| Pages of publication |
1278 |
| a |
9.976 ± 0.0013 Å |
| b |
11.281 ± 0.0013 Å |
| c |
15.387 ± 0.002 Å |
| α |
70.76 ± 0.008° |
| β |
81.138 ± 0.008° |
| γ |
84.7 ± 0.009° |
| Cell volume |
1613.8 ± 0.4 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 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 |
0.1271 |
| Residual factor for significantly intense reflections |
0.0682 |
| Weighted residual factors for significantly intense reflections |
0.1607 |
| Weighted residual factors for all reflections included in the refinement |
0.196 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.994 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/4001080.html
