Information card for entry 1511868
Formula |
C45 H35 Cl3 O4 |
Calculated formula |
C45 H35 Cl3 O4 |
SMILES |
ClC(Cl)Cl.COc1ccc(cc1)c1cc(c2ccc(cc2)OC)c2c3c1ccc1c3c(cc2)c(cc1c1ccc(cc1)OC)c1ccc(cc1)OC |
Title of publication |
Blue-emitting butterfly-shaped 1,3,5,9-tetraarylpyrenes: synthesis, crystal structures, and photophysical properties. |
Authors of publication |
Feng, Xing; Hu, Jian-Yong; Iwanaga, Fumitaka; Seto, Nobuyuki; Redshaw, Carl; Elsegood, Mark R. J.; Yamato, Takehiko |
Journal of publication |
Organic letters |
Year of publication |
2013 |
Journal volume |
15 |
Journal issue |
6 |
Pages of publication |
1318 - 1321 |
a |
14.076 ± 0.003 Å |
b |
9.7666 ± 0.0019 Å |
c |
26.439 ± 0.005 Å |
α |
90° |
β |
95.169 ± 0.015° |
γ |
90° |
Cell volume |
3619.9 ± 1.3 Å3 |
Cell temperature |
113 K |
Ambient diffraction temperature |
113 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for significantly intense reflections |
0.0578 |
Weighted residual factors for all reflections included in the refinement |
0.1852 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.096 |
Diffraction radiation wavelength |
1.54187 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/1511868.html