Information card for entry 1514747
| Common name |
HP.BPE-m-dichlorobenzene |
| Chemical name |
1-(2,4,6-Trihydroxyphenyl)heptan-1-one trans-1,2-bis(4-pyridyl)ethene 1,3-dichlorobenzene |
| Formula |
C31 H32 Cl2 N2 O4 |
| Calculated formula |
C31 H32 Cl2 N2 O4 |
| SMILES |
Oc1cc(c(c(c1)O)C(=O)CCCCCC)O.c1cnccc1/C=C/c1ccncc1.c1c(cccc1Cl)Cl |
| Title of publication |
From co-crystals to functional thin films: photolithography using [2+2] photodimerization |
| Authors of publication |
Ghorai, Suman; Sumrak, Joseph C.; Hutchins, Kristin M.; Bučar, Dejan-Krešimir; Tivanski, Alexei V.; MacGillivray, Leonard R. |
| Journal of publication |
Chemical Science |
| Year of publication |
2013 |
| Journal volume |
4 |
| Journal issue |
11 |
| Pages of publication |
4304 |
| a |
8.3666 ± 0.0009 Å |
| b |
10.8236 ± 0.0011 Å |
| c |
17.2119 ± 0.0018 Å |
| α |
84.42 ± 0.006° |
| β |
79.713 ± 0.005° |
| γ |
75.288 ± 0.006° |
| Cell volume |
1481.1 ± 0.3 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1585 |
| Residual factor for significantly intense reflections |
0.0857 |
| Weighted residual factors for significantly intense reflections |
0.2737 |
| Weighted residual factors for all reflections included in the refinement |
0.3185 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.078 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1514747.html
