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Information card for entry 4035226
Preview
Coordinates | 4035226.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H24 Cl2 |
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Calculated formula | C46 H24 Cl2 |
SMILES | c1(c2ccccc2cc2c1ccc1c2c2c(c3c1Cc1c(c4ccc5c(c6ccccc6cc5c4c4c1cccc4)Cl)C3)cccc2)Cl |
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 | 11.996 ± 0.006 Å |
b | 3.8892 ± 0.0016 Å |
c | 30.77 ± 0.015 Å |
α | 90° |
β | 95.413 ± 0.016° |
γ | 90° |
Cell volume | 1429.2 ± 1.2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0675 |
Residual factor for significantly intense reflections | 0.046 |
Weighted residual factors for significantly intense reflections | 0.0996 |
Weighted residual factors for all reflections included in the refinement | 0.1109 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/4035226.html
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