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Information card for entry 7239130
Preview
| Coordinates | 7239130.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45.33 H26.67 O2.67 S1.33 |
|---|---|
| Calculated formula | C45.3333 H26.6667 O2.66667 S1.33333 |
| Title of publication | A one-pot Garratt‒Braverman cyclization and Scholl oxidation route to acene‒helicene hybrids |
| Authors of publication | Mitra, Tapobrata; Das, Joyee; Maji, Manasi; Das, Ranjita; Das, Uttam Kumar; Chattaraj, Pratim K.; Basak, Amit |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 43 |
| Pages of publication | 19844 |
| a | 14.159 ± 0.004 Å |
| b | 14.219 ± 0.004 Å |
| c | 15.69 ± 0.004 Å |
| α | 83.409 ± 0.009° |
| β | 64.951 ± 0.009° |
| γ | 65.669 ± 0.008° |
| Cell volume | 2600.7 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.4118 |
| Residual factor for significantly intense reflections | 0.1252 |
| Weighted residual factors for significantly intense reflections | 0.2441 |
| Weighted residual factors for all reflections included in the refinement | 0.3794 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244563 (current) | 2019-11-28 | cif/ Adding structures of 7239130, 7239131 via cif-deposit CGI script. |
7239130.cif |
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Users of the data should acknowledge the original authors of the
structural data.