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Information card for entry 7231880
Preview
| Coordinates | 7231880.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H26 Cl2 F8 N4 |
|---|---|
| Calculated formula | C45.586 H25.172 Cl1.586 F8 N4 |
| Title of publication | Gram-scale synthesis of porphycenes through acid-catalyzed oxidative macrocyclizations of E/Z-mixed 5,6-diaryldipyrroethenes |
| Authors of publication | Ono, Toshikazu; Xu, Ning; Koga, Daiki; Ideo, Toshihiro; Sugimoto, Manabu; Hisaeda, Yoshio |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 69 |
| Pages of publication | 39269 |
| a | 8.4081 ± 0.0006 Å |
| b | 13.0237 ± 0.0009 Å |
| c | 17.9996 ± 0.0012 Å |
| α | 90° |
| β | 103.022 ± 0.002° |
| γ | 90° |
| Cell volume | 1920.4 ± 0.2 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0826 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1432 |
| Weighted residual factors for all reflections included in the refinement | 0.1716 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212196 (current) | 2018-11-27 | cif/ Adding structures of 7231877, 7231878, 7231879, 7231880 via cif-deposit CGI script. |
7231880.cif |
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Users of the data should acknowledge the original authors of the
structural data.