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Information card for entry 4030139
Preview
Coordinates | 4030139.cif |
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Original paper (by DOI) | HTML |
Formula | C46 H82 N28 O28 |
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Calculated formula | C46 H54 N28 O28 |
Title of publication | Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity. |
Authors of publication | Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 22 |
Pages of publication | 11194 - 11198 |
a | 12.297 ± 0.0016 Å |
b | 12.3805 ± 0.0009 Å |
c | 12.5907 ± 0.0009 Å |
α | 118.978 ± 0.003° |
β | 95.084 ± 0.004° |
γ | 104.624 ± 0.004° |
Cell volume | 1571.4 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.1023 |
Residual factor for significantly intense reflections | 0.0828 |
Weighted residual factors for significantly intense reflections | 0.2471 |
Weighted residual factors for all reflections included in the refinement | 0.2764 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4030139.html
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