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Information card for entry 7131839
Preview
| Coordinates | 7131839.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H70 Cl4 N6 O4 |
|---|---|
| Calculated formula | C61 H69 Cl N6 O4 |
| Title of publication | Bis(napthobipyrrolyl)methene derived Hexapyrrolic BODIPY as a Single Molecule Helicate with Near Infrared Emission |
| Authors of publication | Sahoo, Sipra Sucharita; Panda, Pradeepta |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 16.345 ± 0.002 Å |
| b | 29.544 ± 0.003 Å |
| c | 13.7892 ± 0.0017 Å |
| α | 90° |
| β | 117.007 ± 0.005° |
| γ | 90° |
| Cell volume | 5932.6 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1304 |
| Residual factor for significantly intense reflections | 0.0763 |
| Weighted residual factors for significantly intense reflections | 0.1718 |
| Weighted residual factors for all reflections included in the refinement | 0.1985 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284994 (current) | 2023-07-06 | cif/ Adding structures of 7131839, 7131840 via cif-deposit CGI script. |
7131839.cif |
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