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Information card for entry 7226390
Preview
Coordinates | 7226390.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H33 N3 |
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Calculated formula | C46 H33 N3 |
SMILES | n1c(c2ccccc2)c(nc(c1c1ccc(cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1)c1ccccc1 |
Title of publication | An optical fibre sensor for remotely detecting water traces in organic solvents |
Authors of publication | Han, Mengke; Chen, Ming; Ebendorff-Heidepriem, Heike; fang, cheng; Qin, Anjun; Zhang, Hu; Tang, Ben Zhong; Tang, Youhong; Ruan, Yinlan |
Journal of publication | RSC Adv. |
Year of publication | 2016 |
a | 10.093 ± 0.0007 Å |
b | 10.8435 ± 0.0006 Å |
c | 16.7973 ± 0.001 Å |
α | 84.075 ± 0.005° |
β | 86.526 ± 0.005° |
γ | 67.905 ± 0.006° |
Cell volume | 1693.8 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293.15 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 | 0.0954 |
Residual factor for significantly intense reflections | 0.0535 |
Weighted residual factors for significantly intense reflections | 0.1193 |
Weighted residual factors for all reflections included in the refinement | 0.1496 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/7226390.html
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Users of the data should acknowledge the original authors of the
structural data.