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Information card for entry 7052116
Preview
Coordinates | 7052116.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H62 Cl2 N2 O12 |
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Calculated formula | C60 H62 Cl2 N2 O12 |
SMILES | O(c1ccc(C2C(c3cc[n+](c4c3cccc4)CC)C(C2c2cc[n+](c3c2cccc3)CC)c2ccc(OC)c(OC)c2)cc1OC)C.c1ccccc1.c1ccccc1.Cl(=O)(=O)(=O)[O-].c1ccccc1.Cl(=O)(=O)(=O)[O-] |
Title of publication | 4-Styrylquinolines: synthesis and study of [2 + 2]-photocycloaddition reactions in thin films and single crystals |
Authors of publication | Lyudmila G. Kuz'mina; Artem I. Vedernikov; Natalia A. Lobova; Andrei V. Churakov; Judith A. K. Howard; Michael V. Alfimov; Sergey P. Gromov |
Journal of publication | New Journal of Chemistry |
Year of publication | 2007 |
Journal volume | 31 |
Journal issue | 6 |
Pages of publication | 980 |
a | 11.023 ± 0.0004 Å |
b | 11.2484 ± 0.0004 Å |
c | 12.5132 ± 0.0005 Å |
α | 82.944 ± 0.002° |
β | 76.649 ± 0.002° |
γ | 61.394 ± 0.002° |
Cell volume | 1325.18 ± 0.09 Å3 |
Cell temperature | 120 ± 0.2 K |
Ambient diffraction temperature | 120 ± 0.2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0977 |
Residual factor for significantly intense reflections | 0.0523 |
Weighted residual factors for significantly intense reflections | 0.1156 |
Weighted residual factors for all reflections included in the refinement | 0.1283 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7052116.html
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Users of the data should acknowledge the original authors of the
structural data.