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Information card for entry 7224999
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Coordinates | 7224999.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Tribenzoylpyrene |
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Chemical name | pyrene-1,3,6-triyltris(phenylmethanone) |
Formula | C37 H22 O3 |
Calculated formula | C37 H22 O3 |
SMILES | c1(cc(c2ccc3c(ccc4ccc1c2c34)C(=O)c1ccccc1)C(=O)c1ccccc1)C(=O)c1ccccc1 |
Title of publication | Crystallization induced green-yellow-orange emitters based on benzoylpyrenes |
Authors of publication | Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 27 |
Pages of publication | 5089 |
a | 8.9515 ± 0.0004 Å |
b | 11.9373 ± 0.0005 Å |
c | 14.2375 ± 0.0006 Å |
α | 104.703 ± 0.002° |
β | 102.28 ± 0.002° |
γ | 109.581 ± 0.002° |
Cell volume | 1310.36 ± 0.1 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 | 0.0855 |
Residual factor for significantly intense reflections | 0.0421 |
Weighted residual factors for significantly intense reflections | 0.114 |
Weighted residual factors for all reflections included in the refinement | 0.161 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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