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Information card for entry 4035700
Preview
| Coordinates | 4035700.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H39 F5 N2 S2 |
|---|---|
| Calculated formula | C51 H39 F5 N2 S2 |
| Title of publication | Dibenzidecaphyrins (1.0.0.1.1.1.0.0.1.1) and Their Bis-BF<sub>2</sub> Complexes. |
| Authors of publication | Kumar, Sunit; Thorat, Kishor G.; Ravikanth, Mangalampalli |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 23 |
| Pages of publication | 14277 - 14285 |
| a | 25.3837 ± 0.0015 Å |
| b | 23.3917 ± 0.0009 Å |
| c | 19.2584 ± 0.0016 Å |
| α | 90° |
| β | 112.258 ± 0.008° |
| γ | 90° |
| Cell volume | 10583 ± 1.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.1592 |
| Residual factor for significantly intense reflections | 0.0947 |
| Weighted residual factors for significantly intense reflections | 0.2512 |
| Weighted residual factors for all reflections included in the refinement | 0.3119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227149 (current) | 2019-11-11 | cif/ Adding structures of 4035700 via cif-deposit CGI script. |
4035700.cif |
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Users of the data should acknowledge the original authors of the
structural data.