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Information card for entry 1555352
Preview
| Coordinates | 1555352.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H20 O2 |
|---|---|
| Calculated formula | C24 H20 O2 |
| SMILES | O1C2(c3c(cccc3)C(=C2c2c(C1)cccc2)C)c1ccc(OC)cc1 |
| Title of publication | Lewis Acid Catalyzed Tandem Polycyclization of Internal Alkynols and Vinyl Azides. |
| Authors of publication | Siyang, Hai Xiao; Ji, Xiao Yue; Wu, Xu Rui; Wu, Xin Yan; Liu, Pei Nian |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 21 |
| Pages of publication | 5220 - 5223 |
| a | 10.2764 ± 0.0008 Å |
| b | 23.0983 ± 0.0019 Å |
| c | 7.47 ± 0.0006 Å |
| α | 90° |
| β | 101.197 ± 0.002° |
| γ | 90° |
| Cell volume | 1739.4 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0487 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.1169 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1555352.cif |
| 238533 | 2019-11-24 | cif/ Adding structures of 1555352 via cif-deposit CGI script. |
1555352.cif |
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Users of the data should acknowledge the original authors of the
structural data.