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Information card for entry 1560622
Preview
| Coordinates | 1560622.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C254 H248 N16 Ni4 |
|---|---|
| Calculated formula | C254 H248 N16 Ni4 |
| Title of publication | Redox-induced reversible [2 + 2] cycloaddition of an etheno-fused diporphyrin |
| Authors of publication | Miyagawa, Kazuya; Hisaki, Ichiro; Fukui, Norihito; Shinokubo, Hiroshi |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 14 |
| Pages of publication | 5224 - 5229 |
| a | 21.0654 ± 0.0006 Å |
| b | 22.4572 ± 0.0006 Å |
| c | 25.0542 ± 0.0007 Å |
| α | 104.279 ± 0.002° |
| β | 98.423 ± 0.002° |
| γ | 111.649 ± 0.002° |
| Cell volume | 10298.3 ± 0.6 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 | 0.1376 |
| Residual factor for significantly intense reflections | 0.0926 |
| Weighted residual factors for significantly intense reflections | 0.2561 |
| Weighted residual factors for all reflections included in the refinement | 0.2855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.81104 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265922 (current) | 2021-06-05 | cif/ Updating files of 1560621, 1560622 Original log message: Adding full bibliography for 1560621--1560622.cif. |
1560622.cif |
| 262203 | 2021-02-25 | cif/ Adding structures of 1560621, 1560622 via cif-deposit CGI script. |
1560622.cif |
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Users of the data should acknowledge the original authors of the
structural data.