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Information card for entry 1550656
Preview
| Coordinates | 1550656.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H26 Cl2 |
|---|---|
| Calculated formula | C37 H26 Cl2 |
| SMILES | c1c2cccc1c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc2cc1.ClCCl |
| Title of publication | Symmetry Breaking and the Turn-On Fluorescence of Small, Highly Strained Carbon Nanohoops |
| Authors of publication | Lovell, Terri Christine; Colwell, Curtis Eugene; Zakharov, Lev; Jasti, Ramesh |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 8.2031 ± 0.0002 Å |
| b | 16.729 ± 0.0004 Å |
| c | 19.7339 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2708.08 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0342 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0792 |
| Weighted residual factors for all reflections included in the refinement | 0.0808 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213842 (current) | 2019-02-26 | cif/ Adding structures of 1550656 via cif-deposit CGI script. |
1550656.cif |
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