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Information card for entry 1516435
Preview
Coordinates | 1516435.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H28 B F2 N2 |
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Calculated formula | C32 H23 B F2 N2 |
SMILES | CCc1ccc2n1[B](F)(F)[N]1c(=C2c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1CC |
Title of publication | Twisted Intramolecular Charge Transfer and Aggregation-Induced Emission of BODIPY Derivatives |
Authors of publication | Hu, Rongrong; Lager, Erik; Aguilar-Aguilar, Angélica; Liu, Jianzhao; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Zhong, Yongchun; Wong, Kam Sing; Peña-Cabrera, Eduardo; Tang, Ben Zhong |
Journal of publication | The Journal of Physical Chemistry C |
Year of publication | 2009 |
Journal volume | 113 |
Journal issue | 36 |
Pages of publication | 15845 |
a | 6.7344 ± 0.0009 Å |
b | 13.4028 ± 0.0018 Å |
c | 14.985 ± 0.0019 Å |
α | 74.755 ± 0.002° |
β | 84.053 ± 0.003° |
γ | 76.716 ± 0.003° |
Cell volume | 1268.7 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.1033 |
Residual factor for significantly intense reflections | 0.0569 |
Weighted residual factors for significantly intense reflections | 0.1444 |
Weighted residual factors for all reflections included in the refinement | 0.161 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1516435.html
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Users of the data should acknowledge the original authors of the
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