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Information card for entry 4035224
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Coordinates | 4035224.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H22 Cl4 |
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Calculated formula | C46 H22 Cl4 |
Title of publication | Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties. |
Authors of publication | Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 19 |
Pages of publication | 11614 - 11622 |
a | 28.518 ± 0.002 Å |
b | 3.9214 ± 0.0002 Å |
c | 28.75 ± 0.002 Å |
α | 90° |
β | 111.54 ± 0.003° |
γ | 90° |
Cell volume | 2990.6 ± 0.3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 3 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.0895 |
Residual factor for significantly intense reflections | 0.063 |
Weighted residual factors for significantly intense reflections | 0.1219 |
Weighted residual factors for all reflections included in the refinement | 0.1314 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.182 |
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/4035224.html
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structural data.