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Information card for entry 7238787
Preview
| Coordinates | 7238787.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H40 N6 O S3 |
|---|---|
| Calculated formula | C46 H40 N6 O S3 |
| Title of publication | Design strategy for arranging an aromatic cyclic trimer into a tripodal molecule |
| Authors of publication | Elumalai, Palani; Rajakannu, Palanisamy; Hussain, Firasat; Sathiyendiran, Malaichamy |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 7 |
| Pages of publication | 2171 |
| a | 24.007 ± 0.0017 Å |
| b | 13.3108 ± 0.0007 Å |
| c | 24.2954 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7763.7 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.158 |
| Residual factor for significantly intense reflections | 0.0909 |
| Weighted residual factors for significantly intense reflections | 0.1479 |
| Weighted residual factors for all reflections included in the refinement | 0.1739 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244352 (current) | 2019-11-28 | cif/ Adding structures of 7238787 via cif-deposit CGI script. |
7238787.cif |
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Users of the data should acknowledge the original authors of the
structural data.