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Information card for entry 1570888
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Coordinates | 1570888.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 | 12.84138 ± 0.00018 Å |
b | 13.04491 ± 0.00019 Å |
c | 15.1875 ± 0.0002 Å |
α | 94.0644 ± 0.0012° |
β | 114.237 ± 0.0015° |
γ | 108.442 ± 0.0013° |
Cell volume | 2140.66 ± 0.07 Å3 |
Cell temperature | 318 ± 0.1 K |
Ambient diffraction temperature | 318 ± 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 | 0.0631 |
Residual factor for significantly intense reflections | 0.0578 |
Weighted residual factors for significantly intense reflections | 0.1712 |
Weighted residual factors for all reflections included in the refinement | 0.1764 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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