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Information card for entry 1550821
Preview
Coordinates | 1550821.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H74 O4 |
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Calculated formula | C72 H74 O4 |
SMILES | O(c1ccc(C#Cc2c3c4c5c(cc(cc5c(c(c4cc(c3)C(C)(C)C)C#Cc3ccc(OCCCC)cc3)C#Cc3ccc(OCCCC)cc3)C(C)(C)C)c2C#Cc2ccc(OCCCC)cc2)cc1)CCCC |
Title of publication | Alkyloxy modified pyrene fluorophores with tunable photophysical and crystalline properties |
Authors of publication | Kapf, Andreas; Eslahi, Hassan; Blanke, Meik; Saccone, Marco; Giese, Michael; Albrecht, Marcel |
Journal of publication | New Journal of Chemistry |
Year of publication | 2019 |
Journal volume | 43 |
Journal issue | 16 |
Pages of publication | 6361 |
a | 10.4191 ± 0.0005 Å |
b | 11.0485 ± 0.0005 Å |
c | 13.1357 ± 0.0005 Å |
α | 87.451 ± 0.002° |
β | 81.029 ± 0.001° |
γ | 75.138 ± 0.002° |
Cell volume | 1443.64 ± 0.11 Å3 |
Cell temperature | 122 ± 2 K |
Ambient diffraction temperature | 122 ± 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 | 0.0993 |
Residual factor for significantly intense reflections | 0.0493 |
Weighted residual factors for significantly intense reflections | 0.1139 |
Weighted residual factors for all reflections included in the refinement | 0.1407 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1550821.html
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