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Information card for entry 7132668
Preview
Coordinates | 7132668.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H34 Cl2 N2 O4 |
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Calculated formula | C32 H34 Cl2 N2 O4 |
Title of publication | Reversing the stereoselectivity of intramolecular [2+2] photocycloaddition utilizing cucurbit[8]uril as a molecular flask. |
Authors of publication | Qiu, Xujun; Seibert, Jasmin; Fuhr, Olaf; Biedermann, Frank; Bräse, Stefan |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 24 |
Pages of publication | 3267 - 3270 |
a | 10.2222 ± 0.0003 Å |
b | 10.4342 ± 0.0004 Å |
c | 27.3088 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2912.77 ± 0.18 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.071 |
Residual factor for significantly intense reflections | 0.0692 |
Weighted residual factors for significantly intense reflections | 0.1833 |
Weighted residual factors for all reflections included in the refinement | 0.185 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.34143 Å |
Diffraction radiation type | GaKα |
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/7132668.html
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