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Information card for entry 1551491
Preview
| Coordinates | 1551491.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H20 |
|---|---|
| Calculated formula | C30 H20 |
| SMILES | c1cc2c3ccc(c4ccc(cc4)c4ccc(cc4)c4ccc(cc4)c1cc2)cc3 |
| 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 | 9.8337 ± 0.0002 Å |
| b | 11.6263 ± 0.0003 Å |
| c | 35.5613 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4065.71 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 2 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0488 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1279 |
| Weighted residual factors for all reflections included in the refinement | 0.1281 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216063 (current) | 2019-06-18 | cif/ Adding structures of 1551491 via cif-deposit CGI script. |
1551491.cif |
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