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Information card for entry 4029059
Preview
Coordinates | 4029059.cif |
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Original paper (by DOI) | HTML |
Formula | C50.45 H44.9 Cl0.9 N4 O4 |
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Calculated formula | C50.4482 H44.8964 Cl0.8964 N4 O4 |
Title of publication | Diindole-annulated naphthalene diimides: synthesis and optical and electronic properties of syn- and anti-isomers. |
Authors of publication | Suraru, Sabin-Lucian; Burschka, Christian; Würthner, Frank |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 1 |
Pages of publication | 128 - 139 |
a | 10.8868 ± 0.0004 Å |
b | 11.9949 ± 0.0005 Å |
c | 16.3976 ± 0.0006 Å |
α | 81.721 ± 0.002° |
β | 74.868 ± 0.002° |
γ | 72.391 ± 0.002° |
Cell volume | 1965.27 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0407 |
Residual factor for significantly intense reflections | 0.0351 |
Weighted residual factors for significantly intense reflections | 0.0873 |
Weighted residual factors for all reflections included in the refinement | 0.0914 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4029059.html
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