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Information card for entry 7053010
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Coordinates | 7053010.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H13 Br O2 |
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Calculated formula | C16 H13 Br O2 |
SMILES | Brc1c2c(OC)c3c(c(OC)c2ccc1)cccc3 |
Title of publication | Synthesis and properties of new 9,10-anthraquinone derived compounds for molecular electronics |
Authors of publication | Seidel, Nadine; Hahn, Torsten; Liebing, Simon; Seichter, Wilhelm; Kortus, Jens; Weber, Edwin |
Journal of publication | New Journal of Chemistry |
Year of publication | 2013 |
Journal volume | 37 |
Journal issue | 3 |
Pages of publication | 601 |
a | 18.3586 ± 0.0005 Å |
b | 8.6988 ± 0.0002 Å |
c | 8.3214 ± 0.0002 Å |
α | 90° |
β | 98.203 ± 0.002° |
γ | 90° |
Cell volume | 1315.31 ± 0.06 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0459 |
Residual factor for significantly intense reflections | 0.0324 |
Weighted residual factors for significantly intense reflections | 0.0815 |
Weighted residual factors for all reflections included in the refinement | 0.0902 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/7053010.html
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