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Information card for entry 1551490
Preview
| Coordinates | 1551490.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H28 O2 |
|---|---|
| Calculated formula | C32 H28 O2 |
| SMILES | O(C12C=CC(c3ccc(c4ccc(cc4)C4C=CC(OC)(c5ccc1cc5)C=C4)cc3)C=C2)C |
| Title of publication | Efficient room-temperature synthesis of a highly strained carbon nanohoop fragment of buckminsterfullerene |
| Authors of publication | Paul J. Evans; Evan R. Darzi; Ramesh Jasti |
| Journal of publication | Nature Chemistry |
| Year of publication | 2014 |
| Journal volume | 6 |
| Pages of publication | 404 - 408 |
| a | 17.444 ± 0.003 Å |
| b | 10.8686 ± 0.0019 Å |
| c | 12.1775 ± 0.0019 Å |
| α | 90° |
| β | 92.014 ± 0.006° |
| γ | 90° |
| Cell volume | 2307.3 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0575 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.0968 |
| Weighted residual factors for all reflections included in the refinement | 0.0984 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216062 (current) | 2019-06-18 | cif/ Adding structures of 1551490 via cif-deposit CGI script. |
1551490.cif |
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