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Information card for entry 7156886
Preview
| Coordinates | 7156886.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H40 Cl2 N4 O4 |
|---|---|
| Calculated formula | C48 H40 Cl2 N4 O4 |
| Title of publication | meso-Aryl substituted stable unorthodox 5,10-porphodimethenes with α,β and β,β-N-methyl pyrrole connectivities: synthesis and spectroscopic, solid state and theoretical characterization. |
| Authors of publication | Halder, Nyancy; Sangeetha, Mohandas; Usharani, Dandamudi; Rath, Harapriya |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 25 |
| Pages of publication | 6131 - 6135 |
| a | 36.646 ± 0.002 Å |
| b | 36.646 ± 0.002 Å |
| c | 17.5414 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 20401 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1589 |
| Residual factor for significantly intense reflections | 0.1119 |
| Weighted residual factors for significantly intense reflections | 0.2936 |
| Weighted residual factors for all reflections included in the refinement | 0.3293 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.151 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225177 (current) | 2019-11-08 | cif/ Updating files of 7156886, 7156887 Original log message: Adding full bibliography for 7156886--7156887.cif. |
7156886.cif |
| 215645 | 2019-06-01 | cif/ Adding structures of 7156886, 7156887 via cif-deposit CGI script. |
7156886.cif |
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Users of the data should acknowledge the original authors of the
structural data.