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Information card for entry 4515345
Preview
Coordinates | 4515345.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C67 H55 B N4 |
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Calculated formula | C67 H55 B N4 |
SMILES | [B]1([n]2c(c(c(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2C)C)=C(c2n1c(c(c2C)c1ccc(N(c2ccccc2)c2ccccc2)cc1)C)c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Anomalous Effect of Intramolecular Charge Transfer on the Light Emitting Properties of BODIPY. |
Authors of publication | Gao, Hongcheng; Gao, Yu; Wang, Cong; Hu, Dehua; Xie, Zengqi; Liu, Linlin; Yang, Bing; Ma, Yuguang |
Journal of publication | ACS applied materials & interfaces |
Year of publication | 2018 |
Journal volume | 10 |
Journal issue | 17 |
Pages of publication | 14956 - 14965 |
a | 18.7316 ± 0.0012 Å |
b | 13.9317 ± 0.0009 Å |
c | 24.149 ± 0.002 Å |
α | 90° |
β | 125.672 ± 0.005° |
γ | 90° |
Cell volume | 5119.5 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 all reflections | 0.1618 |
Residual factor for significantly intense reflections | 0.083 |
Weighted residual factors for significantly intense reflections | 0.2198 |
Weighted residual factors for all reflections included in the refinement | 0.2889 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/4515345.html
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