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Information card for entry 1554570
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Coordinates | 1554570.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Inverted_pyridine_heptamer |
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Formula | C173 H203 N13 O10 P2 |
Calculated formula | C173 H203 N13 O10 P2 |
Title of publication | Encapsulation of dihydrogenphosphate ions as a cyclic dimer to the cavities of site-specifically modified indolocarbazole-pyridine foldamers |
Authors of publication | Lee, Chaeeun; Lee, Hyemi; Lee, Seungwon; Jeon, Hae-Geun; Jeong, Kyu-Sung |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 3 |
Pages of publication | 299 |
a | 21.505 ± 0.004 Å |
b | 29.114 ± 0.006 Å |
c | 28.751 ± 0.006 Å |
α | 90° |
β | 94.83 ± 0.03° |
γ | 90° |
Cell volume | 17937 ± 6 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1314 |
Residual factor for significantly intense reflections | 0.0904 |
Weighted residual factors for significantly intense reflections | 0.2576 |
Weighted residual factors for all reflections included in the refinement | 0.2822 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.7 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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