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Information card for entry 1519399
Preview
Coordinates | 1519399.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H6 F4 O4 |
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Calculated formula | C10 H6 F4 O4 |
SMILES | Fc1c(F)c(c(F)c(F)c1C(=O)OC)C(=O)OC |
Title of publication | Crystallization-induced dual emission from metal- and heavy atom-free aromatic acids and esters |
Authors of publication | Gong, Yongyang; Zhao, Lifang; Peng, Qian; Fan, Di; Yuan, Wang Zhang; Zhang, Yongming; Tang, Ben Zhong |
Journal of publication | Chem. Sci. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 8 |
Pages of publication | 4438 |
a | 6.332 ± 0.006 Å |
b | 4.701 ± 0.005 Å |
c | 17.423 ± 0.016 Å |
α | 90° |
β | 95.605 ± 0.015° |
γ | 90° |
Cell volume | 516.1 ± 0.9 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0709 |
Residual factor for significantly intense reflections | 0.065 |
Weighted residual factors for significantly intense reflections | 0.1877 |
Weighted residual factors for all reflections included in the refinement | 0.206 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
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/1519399.html
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