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Information card for entry 1560149
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Coordinates | 1560149.cif |
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Original paper (by DOI) | HTML |
Chemical name | tetraethyl 2-bromonaphthalene-1,4,5,8-tetracarboxylate |
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Formula | C22 H23 Br O8 |
Calculated formula | C22 H23 Br O8 |
Title of publication | Organic room-temperature phosphorescence from halogen-bonded organic frameworks: hidden electronic effects in rigidified chromophores. |
Authors of publication | Zhou, Jiawang; Stojanović, Ljiljana; Berezin, Andrey A.; Battisti, Tommaso; Gill, Abigail; Kariuki, Benson M.; Bonifazi, Davide; Crespo-Otero, Rachel; Wasielewski, Michael R.; Wu, Yi-Lin |
Journal of publication | Chemical science |
Year of publication | 2020 |
Journal volume | 12 |
Journal issue | 2 |
Pages of publication | 767 - 773 |
a | 9.6364 ± 0.0005 Å |
b | 9.8092 ± 0.0005 Å |
c | 11.8602 ± 0.0005 Å |
α | 90° |
β | 90.442 ± 0.004° |
γ | 90° |
Cell volume | 1121.06 ± 0.09 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0863 |
Residual factor for significantly intense reflections | 0.0677 |
Weighted residual factors for significantly intense reflections | 0.1502 |
Weighted residual factors for all reflections included in the refinement | 0.161 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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