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Information card for entry 4508209
Preview
Coordinates | 4508209.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H24 N2 O3 |
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Calculated formula | C29 H24 N2 O3 |
SMILES | N1(N=C(CC1c1c2ccc3c4c2c(ccc4ccc3)cc1)c1ccccc1)C(=O)C.O=C(O)C |
Title of publication | Regulation of Arrangements of Pyrene Fluorophores via Solvates and Cocrystals for Fluorescence Modulation |
Authors of publication | Feng, Qi; Wang, Mingliang; Dong, Baoli; He, Jing; Xu, Chunxiang |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 10 |
Pages of publication | 4418 |
a | 18.567 ± 0.004 Å |
b | 21.868 ± 0.004 Å |
c | 5.642 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2290.8 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.1835 |
Residual factor for significantly intense reflections | 0.053 |
Weighted residual factors for significantly intense reflections | 0.0562 |
Weighted residual factors for all reflections included in the refinement | 0.0885 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.831 |
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/4508209.html
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Users of the data should acknowledge the original authors of the
structural data.