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Information card for entry 7131049
Preview
| Coordinates | 7131049.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C119 H44 F49.21 O5 S15 |
|---|---|
| Calculated formula | C119 H44 F49.21 O5 S15 |
| 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 | 32.114 ± 0.01 Å |
| b | 17.231 ± 0.004 Å |
| c | 21.376 ± 0.006 Å |
| α | 90° |
| β | 96.38 ± 0.013° |
| γ | 90° |
| Cell volume | 11755 ± 6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1473 |
| Residual factor for significantly intense reflections | 0.0993 |
| Weighted residual factors for significantly intense reflections | 0.2625 |
| Weighted residual factors for all reflections included in the refinement | 0.3331 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7131049.cif |
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