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Information card for entry 4500086
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4500086.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H12 B Cl4 N7 O2 |
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Calculated formula | C32 H12 B Cl4 N7 O2 |
SMILES | Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)[B]12[n]3c4=Nc5n2c(N=c2n1c(=Nc3c1c4cccc1)c1ccccc21)c1ccccc51 |
Title of publication | Phthalimido-boronsubphthalocyanines: new derivatives of boronsubphthalocyanine with bipolar electrochemistry and functionality in OLEDs. |
Authors of publication | Morse, Graham E.; Castrucci, Jeffery S.; Helander, Michael G.; Lu, Zheng-Hong; Bender, Timothy P. |
Journal of publication | ACS applied materials & interfaces |
Year of publication | 2011 |
Journal volume | 3 |
Journal issue | 9 |
Pages of publication | 3538 - 3544 |
a | 11.8635 ± 0.0006 Å |
b | 13.2132 ± 0.0008 Å |
c | 18.4565 ± 0.001 Å |
α | 90° |
β | 108.523 ± 0.003° |
γ | 90° |
Cell volume | 2743.3 ± 0.3 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1344 |
Residual factor for significantly intense reflections | 0.0639 |
Weighted residual factors for significantly intense reflections | 0.1538 |
Weighted residual factors for all reflections included in the refinement | 0.1903 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4500086.html
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Users of the data should acknowledge the original authors of the
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