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Information card for entry 7238890
Preview
| Coordinates | 7238890.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H58 Br2 N8 O3 |
|---|---|
| Calculated formula | C60 H52 Br3.999 N8 O3 |
| Title of publication | Interplay of monomer, intra- and intermolecular excimer fluorescence in cyclophanes and selective recognition of methanol vapours |
| Authors of publication | Nandajan, Paramjyothi C.; Neelakandan, Prakash P.; Ramaiah, Danaboyina |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 16 |
| Pages of publication | 5624 |
| a | 10.3953 ± 0.0004 Å |
| b | 17.2537 ± 0.0006 Å |
| c | 16.1405 ± 0.0006 Å |
| α | 90° |
| β | 100.491 ± 0.002° |
| γ | 90° |
| Cell volume | 2846.53 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0956 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for significantly intense reflections | 0.1719 |
| Weighted residual factors for all reflections included in the refinement | 0.1974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244448 (current) | 2019-11-28 | cif/ Adding structures of 7238889, 7238890 via cif-deposit CGI script. |
7238890.cif |
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Users of the data should acknowledge the original authors of the
structural data.