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Information card for entry 1554119
Preview
Coordinates | 1554119.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H17 N5 S2 |
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Calculated formula | C34 H17 N5 S2 |
SMILES | C(#N)C(=Cc1ccc(c2ccc3c(c2)c2c(ccc(c2)c2ccc(C=C(C#N)C#N)s2)n3c2ccccc2)s1)C#N |
Title of publication | Construction of a Layered Hydrogen-Bonded Organic Framework Showing High-Contrast Mechanoresponsive Luminescence Turn-On |
Authors of publication | Peng, Yu-Xin; Gan, Yi-Tao; Shi, Rong-Guang; Huang, Wei; Tao, Tao |
Journal of publication | The Journal of Physical Chemistry C |
Year of publication | 2018 |
Journal volume | 122 |
Journal issue | 51 |
Pages of publication | 29488 |
a | 8.248 ± 0.003 Å |
b | 12.91 ± 0.004 Å |
c | 16.731 ± 0.005 Å |
α | 112.308 ± 0.005° |
β | 97.811 ± 0.004° |
γ | 94.47 ± 0.005° |
Cell volume | 1616.5 ± 0.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1047 |
Residual factor for significantly intense reflections | 0.0685 |
Weighted residual factors for significantly intense reflections | 0.1934 |
Weighted residual factors for all reflections included in the refinement | 0.2143 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1554119.html
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