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Information card for entry 7224997
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Coordinates | 7224997.cif |
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Original paper (by DOI) | HTML |
Common name | 1,6 Dibenzoylpyrene |
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Chemical name | pyrene-1,6-diylbis(phenylmethanone) |
Formula | C30 H18 O2 |
Calculated formula | C30 H18 O2 |
SMILES | c1(ccc2c3c1ccc1ccc(c(cc2)c31)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 | 5.4689 ± 0.0003 Å |
b | 8.251 ± 0.0005 Å |
c | 22.572 ± 0.0015 Å |
α | 90° |
β | 95.604 ± 0.002° |
γ | 90° |
Cell volume | 1013.67 ± 0.11 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0427 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.087 |
Weighted residual factors for all reflections included in the refinement | 0.0955 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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