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Information card for entry 1554658
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Coordinates | 1554658.cif |
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Original paper (by DOI) | HTML |
Chemical name | '2,5-bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophene' |
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Formula | C44 H28 S |
Calculated formula | C44 H28 S |
SMILES | s1c(ccc1c1ccc(cc1)C=C1c2ccccc2c2ccccc12)c1ccc(cc1)C=C1c2ccccc2c2ccccc12 |
Title of publication | Stimuli responsive aggregation-induced emission of bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophene single crystals |
Authors of publication | Kazantsev, Maxim S.; Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Benassi, Enrico; Mostovich, Evgeny A. |
Journal of publication | Materials Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 3 |
Journal issue | 8 |
Pages of publication | 1545 |
a | 9.7394 ± 0.0003 Å |
b | 9.8279 ± 0.0003 Å |
c | 16.0542 ± 0.0005 Å |
α | 96.661 ± 0.001° |
β | 100.097 ± 0.001° |
γ | 92.178 ± 0.001° |
Cell volume | 1499.99 ± 0.08 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0561 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for significantly intense reflections | 0.0847 |
Weighted residual factors for all reflections included in the refinement | 0.0938 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/1554658.html
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Users of the data should acknowledge the original authors of the
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