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Information card for entry 1550512
Preview
| Coordinates | 1550512.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H28 O2 |
|---|---|
| Calculated formula | C41 H28 O2 |
| SMILES | c1ccccc1C1(C=Cc2c(c3OC(C=Cc3c3c2cccc3)=C(c2ccccc2)c2ccccc2)O1)c1ccccc1 |
| 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, Xiao-Chun; Jiang, Gaoxi |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 9.7427 ± 0.0014 Å |
| b | 13.5639 ± 0.0019 Å |
| c | 21.658 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2862.1 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0533 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.102 |
| Weighted residual factors for all reflections included in the refinement | 0.1106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213265 (current) | 2019-01-24 | cif/ Adding structures of 1550512, 1550513 via cif-deposit CGI script. |
1550512.cif |
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