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Information card for entry 7208854
Preview
Coordinates | 7208854.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H14 N4 O4 |
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Calculated formula | C18 H14 N4 O4 |
SMILES | COc1ccc(c2nnc(c3nnc(c4ccc(cc4)OC)o3)o2)cc1 |
Title of publication | Two dimensional directed π‒π interactions in a linear shaped bi-1,3,4-oxadiazole derivative to achieve organic single crystal with highly polarized fluorescence and amplified spontaneous emissions |
Authors of publication | Qu, Songnan; Lu, Qipeng; Wu, Shaohang; Wang, Lijun; Liu, Xingyuan |
Journal of publication | Journal of Materials Chemistry |
Year of publication | 2012 |
Journal volume | 22 |
Journal issue | 47 |
Pages of publication | 24605 |
a | 6.4194 ± 0.0013 Å |
b | 8.268 ± 0.0017 Å |
c | 15.213 ± 0.003 Å |
α | 90° |
β | 92.69 ± 0.03° |
γ | 90° |
Cell volume | 806.5 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.058 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.0916 |
Weighted residual factors for all reflections included in the refinement | 0.0983 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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