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Information card for entry 1504034
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Coordinates | 1504034.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H52 O12 |
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Calculated formula | C18 H26 O6 |
Title of publication | Taco complex templated syntheses of a cryptand/paraquat [2]rotaxane and a [2]catenane by olefin metathesis. |
Authors of publication | Li, Shijun; Liu, Ming; Zheng, Bo; Zhu, Kelong; Wang, Feng; Li, Ning; Zhao, Xiao-Li; Huang, Feihe |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 15 |
Pages of publication | 3350 - 3353 |
a | 7.0217 ± 0.0002 Å |
b | 11.5023 ± 0.0004 Å |
c | 12.3086 ± 0.0004 Å |
α | 113.451 ± 0.001° |
β | 94.599 ± 0.001° |
γ | 97.882 ± 0.001° |
Cell volume | 893.4 ± 0.05 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.036 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0908 |
Weighted residual factors for all reflections included in the refinement | 0.0932 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1504034.html
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structural data.