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Information card for entry 4513129
Preview
Coordinates | 4513129.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H19 N O2 |
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Calculated formula | C19 H19 N O2 |
SMILES | c12c(c3c(cc1cccc2)cccc3)NC(=O)OC(C)(C)C |
Title of publication | Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State |
Authors of publication | Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo |
Journal of publication | Crystal Growth & Design |
Year of publication | 2015 |
Journal volume | 15 |
Journal issue | 5 |
Pages of publication | 2291 |
a | 8.5645 ± 0.0008 Å |
b | 10.2223 ± 0.001 Å |
c | 10.7797 ± 0.0018 Å |
α | 101.49 ± 0.001° |
β | 100.221 ± 0.001° |
γ | 113.901 ± 0.001° |
Cell volume | 809.67 ± 0.17 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0496 |
Residual factor for significantly intense reflections | 0.0442 |
Weighted residual factors for significantly intense reflections | 0.1263 |
Weighted residual factors for all reflections included in the refinement | 0.1322 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
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/4513129.html
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Users of the data should acknowledge the original authors of the
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