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Information card for entry 4034206
Preview
Coordinates | 4034206.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C111 H150 Br8 Cl11 N17 O28 |
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Calculated formula | C111 H150 Br8 Cl11 N17 O28 |
Title of publication | Anion Transporters Based on Noncovalent Balance including Anion-π, Hydrogen, and Halogen Bonding. |
Authors of publication | Huang, Wen-Long; Wang, Xu-Dong; Li, Sen; Zhang, Rui; Ao, Yu-Fei; Tang, Jun; Wang, Qi-Qiang; Wang, De-Xian |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 14 |
Pages of publication | 8859 - 8869 |
a | 13.3373 ± 0.0003 Å |
b | 17.9188 ± 0.0004 Å |
c | 57.9576 ± 0.0011 Å |
α | 90° |
β | 93.081 ± 0.002° |
γ | 90° |
Cell volume | 13831.2 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 6 |
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 | 0.1742 |
Residual factor for significantly intense reflections | 0.0835 |
Weighted residual factors for significantly intense reflections | 0.1778 |
Weighted residual factors for all reflections included in the refinement | 0.2234 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4034206.html
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