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Information card for entry 1555604
Preview
| Coordinates | 1555604.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H63 Cl6 N15 O3 |
|---|---|
| Calculated formula | C81.998 H62.996 Cl5.998 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 | 16.103 ± 0.0017 Å |
| b | 13.8295 ± 0.0015 Å |
| c | 31.954 ± 0.004 Å |
| α | 90° |
| β | 92.721 ± 0.006° |
| γ | 90° |
| Cell volume | 7108 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 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 | 0.1702 |
| Residual factor for significantly intense reflections | 0.0757 |
| Weighted residual factors for significantly intense reflections | 0.1986 |
| Weighted residual factors for all reflections included in the refinement | 0.2486 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238936 (current) | 2019-11-24 | cif/ Adding structures of 1555604 via cif-deposit CGI script. |
1555604.cif |
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Users of the data should acknowledge the original authors of the
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