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Information card for entry 1571314
Preview
Coordinates | 1571314.cif |
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Original paper (by DOI) | HTML |
Formula | C152 H184 N6 O24 |
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Calculated formula | C126 H112 N6 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 | 21.54594 ± 0.00012 Å |
b | 25.73674 ± 0.00014 Å |
c | 29.44669 ± 0.00016 Å |
α | 73.2304 ± 0.0005° |
β | 71.3145 ± 0.0005° |
γ | 72.7778 ± 0.0005° |
Cell volume | 14432.2 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1194 |
Residual factor for significantly intense reflections | 0.1109 |
Weighted residual factors for significantly intense reflections | 0.3439 |
Weighted residual factors for all reflections included in the refinement | 0.353 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
291556 (current) | 2024-05-05 | cif/ Updating files of 1571314, 1571315, 1571316 Original log message: Adding full bibliography for 1571314--1571316.cif. |
1571314.cif |
290717 | 2024-04-02 | cif/ Adding structures of 1571314, 1571315, 1571316 via cif-deposit CGI script. |
1571314.cif |
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Users of the data should acknowledge the original authors of the
structural data.