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Information card for entry 1570887
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Coordinates | 1570887.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H50 Cl2 O |
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Calculated formula | C53 H50 Cl2 O |
Title of publication | Controllable π-π coupling of intramolecular dimer models in aggregated states. |
Authors of publication | Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 12 |
Pages of publication | 4364 - 4373 |
a | 12.8218 ± 0.0002 Å |
b | 13.0029 ± 0.0002 Å |
c | 15.1355 ± 0.0002 Å |
α | 93.833 ± 0.001° |
β | 114.434 ± 0.001° |
γ | 108.369 ± 0.001° |
Cell volume | 2122.79 ± 0.06 Å3 |
Cell temperature | 288 ± 0.1 K |
Ambient diffraction temperature | 288 ± 0.1 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 | 0.0692 |
Residual factor for significantly intense reflections | 0.0653 |
Weighted residual factors for significantly intense reflections | 0.1942 |
Weighted residual factors for all reflections included in the refinement | 0.1982 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1570887.html
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