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Information card for entry 1550181
Preview
| Coordinates | 1550181.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H107.92 K2 N2 O16 Ru2 |
|---|---|
| Calculated formula | C76 H107.934 K2 N2 O16 Ru2 |
| 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 | 13.8109 ± 0.0008 Å |
| b | 28.5059 ± 0.0014 Å |
| c | 19.585 ± 0.001 Å |
| α | 90° |
| β | 91.4431 ± 0.0019° |
| γ | 90° |
| Cell volume | 7708 ± 0.7 Å3 |
| Cell temperature | 102 K |
| Ambient diffraction temperature | 101.8 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0613 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1375 |
| Weighted residual factors for all reflections included in the refinement | 0.1447 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| 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. |
1550181.cif |
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Users of the data should acknowledge the original authors of the
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