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Information card for entry 1505657
Preview
Coordinates | 1505657.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H52 F6 N O9 P |
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Calculated formula | C37 H52 F6 N O9 P |
SMILES | [P](F)(F)(F)(F)(F)[F-].[NH2+](CCCCCOC(=O)c1ccccc1)Cc1ccccc1.O1c2ccccc2OCCOCCOCCOCCOCCOCC1 |
Title of publication | Benzo-21-crown-7/secondary dialkylammonium salt [2]pseudorotaxane- and [2]rotaxane-type threaded structures. |
Authors of publication | Zhang, Chuanju; Li, Shijun; Zhang, Jinqiang; Zhu, Kelong; Li, Ning; Huang, Feihe |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 26 |
Pages of publication | 5553 - 5556 |
a | 11.775 ± 0.002 Å |
b | 14.08 ± 0.003 Å |
c | 14.801 ± 0.003 Å |
α | 117.56 ± 0.03° |
β | 109.34 ± 0.03° |
γ | 92.84 ± 0.03° |
Cell volume | 1991.5 ± 1.1 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1048 |
Residual factor for significantly intense reflections | 0.0922 |
Weighted residual factors for significantly intense reflections | 0.2734 |
Weighted residual factors for all reflections included in the refinement | 0.2866 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
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/1505657.html
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