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Information card for entry 4122144
Preview
Coordinates | 4122144.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H44 B F4 N O6 |
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Calculated formula | C24 H44 B F4 N O6 |
SMILES | c1(c(cccc1C(C)C)C(C)C)[NH3+].C1COCCOCCOCCOCCOCCO1.[B](F)(F)(F)[F-] |
Title of publication | Solid State Molecular Dynamic Investigation of An Inclusion Ferroelectric: [(2,6-Diisopropylanilinium)([18]crown-6)]BF4. |
Authors of publication | Ye, Heng-Yun; Li, Shen-Hui; Zhang, Yi; Zhou, Lei; Deng, Feng; Xiong, Ren-Gen |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 28 |
Pages of publication | 10033 - 10040 |
a | 18.757 ± 0.005 Å |
b | 17.392 ± 0.005 Å |
c | 16.703 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5449 ± 3 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.057 |
Residual factor for significantly intense reflections | 0.0485 |
Weighted residual factors for significantly intense reflections | 0.1027 |
Weighted residual factors for all reflections included in the refinement | 0.1076 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
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/4122144.html
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