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Information card for entry 1550182
Preview
| Coordinates | 1550182.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [3-H(OTf)] |
|---|---|
| Formula | C42.94 H37 F3 N2 O4.5 Ru2 S |
| Calculated formula | C42.9405 H37 F3 N2 O4.5 Ru2 S |
| Title of publication | Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters |
| Authors of publication | Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 21.316 ± 0.004 Å |
| b | 29.316 ± 0.006 Å |
| c | 12.6238 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7889 ± 2 Å3 |
| Cell temperature | 109 ± 2 K |
| Ambient diffraction temperature | 108.9 K |
| Number of distinct elements | 7 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0252 |
| Residual factor for significantly intense reflections | 0.0221 |
| Weighted residual factors for significantly intense reflections | 0.0495 |
| Weighted residual factors for all reflections included in the refinement | 0.0509 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0574 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211770 (current) | 2018-11-03 | cif/ Adding structures of 1550178, 1550179, 1550180, 1550181, 1550182 via cif-deposit CGI script. |
1550182.cif |
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