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Information card for entry 7038525
Preview
Coordinates | 7038525.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H12 B Cl F2 N2 O |
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Calculated formula | C18 H12 B Cl F2 N2 O |
SMILES | Clc1cc2C(=C(c3ccccc3)O[B]([n]2cn1)(F)F)c1ccccc1 |
Title of publication | New AIE-active pyrimidine-based boronfluoride complexes with high solid-state emission and reversible mechanochromism luminescence behavior. |
Authors of publication | Qi, Fen; Lin, Jianjian; Wang, Xiaoqing; Cui, Peng; Yan, Hui; Gong, Shuwen; Ma, Chunlin; Liu, Zhipeng; Huang, Wei |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 17 |
Pages of publication | 7278 - 7284 |
a | 9.756 ± 0.0008 Å |
b | 17.9551 ± 0.0013 Å |
c | 11.6909 ± 0.0009 Å |
α | 90° |
β | 125.72 ± 0.003° |
γ | 90° |
Cell volume | 1662.6 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0909 |
Residual factor for significantly intense reflections | 0.0499 |
Weighted residual factors for significantly intense reflections | 0.1097 |
Weighted residual factors for all reflections included in the refinement | 0.129 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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