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Information card for entry 4131959
Preview
| Coordinates | 4131959.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H16 |
|---|---|
| Calculated formula | C30 H16 |
| SMILES | C#Cc1cccc2c1ccc1c2c2c(cc1)ccc1c2c2c(cc1)c(ccc2)C#C |
| Title of publication | Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene. |
| Authors of publication | Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 8 |
| Pages of publication | 2769 - 2772 |
| a | 5.146 Å |
| b | 18.162 Å |
| c | 20.254 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1892.97 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 2 |
| 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 | 0.0314 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.0668 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242029 (current) | 2019-11-25 | cif/ Adding structures of 4131959 via cif-deposit CGI script. |
4131959.cif |
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