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Information card for entry 1553628
Preview
| Coordinates | 1553628.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H18 O |
|---|---|
| Calculated formula | C32 H18 O |
| SMILES | O1C2C3c4ccccc4C4c5ccccc5C=3C1C1=C2c2ccccc2C=4c2ccccc12 |
| Title of publication | From tetrabenzoheptafulvalene to sp2 carbon nano-rings |
| Authors of publication | Cheung, Kwan Yin; Yang, Shuaijun; Miao, Qian |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 5 |
| Pages of publication | 699 |
| a | 12.737 ± 0.003 Å |
| b | 10.827 ± 0.003 Å |
| c | 15.738 ± 0.004 Å |
| α | 90° |
| β | 105.708 ± 0.006° |
| γ | 90° |
| Cell volume | 2089.3 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1793 |
| Residual factor for significantly intense reflections | 0.0997 |
| Weighted residual factors for significantly intense reflections | 0.2401 |
| Weighted residual factors for all reflections included in the refinement | 0.2908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235222 (current) | 2019-11-23 | cif/ Adding structures of 1553627, 1553628, 1553629, 1553630, 1553631 via cif-deposit CGI script. |
1553628.cif |
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Users of the data should acknowledge the original authors of the
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