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Information card for entry 1571316
Preview
Coordinates | 1571316.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C182 H230 N12 O31 |
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Calculated formula | C122 H110 N12 O10 |
Title of publication | Programmable synthesis of organic cages with reduced symmetry. |
Authors of publication | Andrews, Keith G.; Horton, Peter N.; Coles, Simon J. |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 17 |
Pages of publication | 6536 - 6543 |
a | 20.2715 ± 0.0006 Å |
b | 42.387 ± 0.003 Å |
c | 25.285 ± 0.0007 Å |
α | 90° |
β | 91.715 ± 0.002° |
γ | 90° |
Cell volume | 21716.4 ± 1.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 n 1 |
Hall space group symbol | P -2yac |
Residual factor for all reflections | 0.1101 |
Residual factor for significantly intense reflections | 0.0898 |
Weighted residual factors for significantly intense reflections | 0.2452 |
Weighted residual factors for all reflections included in the refinement | 0.2739 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Diffraction radiation X-ray symbol | K-L~3~ |
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/1571316.html
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Users of the data should acknowledge the original authors of the
structural data.