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Information card for entry 1555607
Preview
| Coordinates | 1555607.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C73 H52 Cl9.01 N15 O3 |
|---|---|
| Calculated formula | C73.003 H52.003 Cl9.009 N15 O3 |
| Title of publication | Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons. |
| Authors of publication | Samanta, Jayanta; Natarajan, Ramalingam |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 14 |
| Pages of publication | 3394 - 3397 |
| a | 16.133 ± 0.005 Å |
| b | 13.761 ± 0.004 Å |
| c | 32.115 ± 0.009 Å |
| α | 90° |
| β | 92.117 ± 0.018° |
| γ | 90° |
| Cell volume | 7125 ± 4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1792 |
| Residual factor for significantly intense reflections | 0.1047 |
| Weighted residual factors for significantly intense reflections | 0.2882 |
| Weighted residual factors for all reflections included in the refinement | 0.3751 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238939 (current) | 2019-11-24 | cif/ Adding structures of 1555607 via cif-deposit CGI script. |
1555607.cif |
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Users of the data should acknowledge the original authors of the
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