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Information card for entry 1545207
Preview
| Coordinates | 1545207.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H21 N O2 |
|---|---|
| Calculated formula | C26 H21 N O2 |
| SMILES | O=C1N(c2ccccc2C2=C(OC(=CC12C)c1ccccc1)c1ccccc1)C |
| Title of publication | Synthesis of Fused Pyran Derivatives via Visible-Light-Induced Cascade Cyclization of 1,7-Enynes with Acyl Chlorides. |
| Authors of publication | Li, Chen-Guang; Xu, Guo-Qiang; Xu, Peng-Fei |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 3 |
| Pages of publication | 512 - 515 |
| a | 13.313 ± 0.0007 Å |
| b | 8.0185 ± 0.0004 Å |
| c | 19.7281 ± 0.0017 Å |
| α | 90° |
| β | 98.183 ± 0.006° |
| γ | 90° |
| Cell volume | 2084.5 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.125 |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for significantly intense reflections | 0.1374 |
| Weighted residual factors for all reflections included in the refinement | 0.1786 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191299 (current) | 2017-02-04 | cif/ Adding structures of 1545207 via cif-deposit CGI script. |
1545207.cif |
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