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Information card for entry 4035850
Preview
| Coordinates | 4035850.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70.08 H65.5 |
|---|---|
| Calculated formula | C70.074 H65.506 |
| Title of publication | Pyrene-Fused s-Indacene. |
| Authors of publication | Melidonie, Jason; Liu, Junzhi; Fu, Yubin; Weigand, Jan J.; Berger, Reinhard; Feng, Xinliang |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 12 |
| Pages of publication | 6633 - 6639 |
| a | 13.5895 ± 0.0004 Å |
| b | 11.2987 ± 0.0003 Å |
| c | 16.7039 ± 0.0005 Å |
| α | 90° |
| β | 90.669 ± 0.003° |
| γ | 90° |
| Cell volume | 2564.6 ± 0.13 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 2 |
| 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 | 0.0742 |
| Residual factor for significantly intense reflections | 0.0646 |
| Weighted residual factors for significantly intense reflections | 0.1893 |
| Weighted residual factors for all reflections included in the refinement | 0.2038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227262 (current) | 2019-11-11 | cif/ Adding structures of 4035850 via cif-deposit CGI script. |
4035850.cif |
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Users of the data should acknowledge the original authors of the
structural data.