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Information card for entry 7131050
Preview
| Coordinates | 7131050.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C134 H44 F50 S10 |
|---|---|
| Calculated formula | C134 H44 F50 S10 |
| Title of publication | Topoisomers and aromaticity of a redox active 50π core-modified isophlorinoid. |
| Authors of publication | Udaya, Hosahalli S.; Basavarajappa, Ashokkumar; Gopalakrishna, Tullimilli Y.; Anand, Venkataramanarao G. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2022 |
| a | 10.7591 ± 0.0005 Å |
| b | 17.488 ± 0.0009 Å |
| c | 17.8046 ± 0.0007 Å |
| α | 63.54 ± 0.001° |
| β | 83.089 ± 0.002° |
| γ | 85.48 ± 0.002° |
| Cell volume | 2976.1 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1767 |
| Residual factor for significantly intense reflections | 0.0706 |
| Weighted residual factors for significantly intense reflections | 0.0656 |
| Weighted residual factors for all reflections included in the refinement | 0.0754 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.265 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279629 (current) | 2022-11-30 | cif/ Adding structures of 7131049, 7131050, 7131051, 7131052 via cif-deposit CGI script. |
7131050.cif |
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Users of the data should acknowledge the original authors of the
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