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Information card for entry 1554057
Preview
Coordinates | 1554057.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 5,9,14,18-tetradecyloxy-dinaphto[2,3-a:2,3-h]phenazine |
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Formula | C68 H96 N2 O4 |
Calculated formula | C68 H96 N2 O4 |
SMILES | O(c1c2ccccc2c(OCCCCCCCCCC)c2c1c1nc3c(nc1cc2)c1c(OCCCCCCCCCC)c2ccccc2c(OCCCCCCCCCC)c1cc3)CCCCCCCCCC |
Title of publication | Structural, Spectroscopic, Electrochemical, and Electroluminescent Properties of Tetraalkoxydinaphthophenazines: New Solution-Processable Nonlinear Azaacenes |
Authors of publication | Kotwica, Kamil; Bujak, Piotr; Wamil, Damian; Pieczonka, Adam; Wiosna-Salyga, Gabriela; Gunka, Piotr A.; Jaroch, Tomasz; Nowakowski, Robert; Luszczynska, Beata; Witkowska, Ewelina; Glowacki, Ireneusz; Ulanski, Jacek; Zagorska, Malgorzata; Pron, Adam |
Journal of publication | The Journal of Physical Chemistry C |
Year of publication | 2015 |
Journal volume | 119 |
Journal issue | 19 |
Pages of publication | 10700 |
a | 9.8574 ± 0.0005 Å |
b | 17.6322 ± 0.0007 Å |
c | 17.7861 ± 0.0008 Å |
α | 68.547 ± 0.004° |
β | 87.477 ± 0.004° |
γ | 89.776 ± 0.004° |
Cell volume | 2874.1 ± 0.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 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 | 0.1066 |
Residual factor for significantly intense reflections | 0.0686 |
Weighted residual factors for significantly intense reflections | 0.2049 |
Weighted residual factors for all reflections included in the refinement | 0.2499 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1554057.html
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