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Information card for entry 4001615
Preview
Coordinates | 4001615.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C49 H39 N3 |
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Calculated formula | C49 H39 N3 |
SMILES | n1c(n(c2c1c1ccccc1c1c2cccc1)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1 |
Title of publication | High Efficiency Nondoped Deep-Blue Organic Light Emitting Devices Based on Imidazole-π-triphenylamine Derivatives |
Authors of publication | Zhang, Ying; Lai, Shiu-Lun; Tong, Qing-Xiao; Lo, Ming-Fai; Ng, Tsz-Wai; Chan, Mei-Yee; Wen, Zhi-Chun; He, Jun; Jeff, Kc-Sham; Tang, Xiang-Lin; Liu, Wei-Min; Ko, Chi-Chiu; Wang, Peng-Fei; Lee, Chun-Sing |
Journal of publication | Chemistry of Materials |
Year of publication | 2012 |
Journal volume | 24 |
Journal issue | 1 |
Pages of publication | 61 |
a | 9.2677 ± 0.0004 Å |
b | 10.9653 ± 0.0004 Å |
c | 19.0829 ± 0.0007 Å |
α | 82.027 ± 0.003° |
β | 76.142 ± 0.003° |
γ | 81.632 ± 0.003° |
Cell volume | 1851.85 ± 0.13 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0816 |
Residual factor for significantly intense reflections | 0.0564 |
Weighted residual factors for significantly intense reflections | 0.1607 |
Weighted residual factors for all reflections included in the refinement | 0.1825 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4001615.cif |
178377 | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001615.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4001615.cif |
51845 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4001615 via cif-deposit CGI script. |
4001615.cif |
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Users of the data should acknowledge the original authors of the
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