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Information card for entry 7120733
Preview
| Coordinates | 7120733.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H13 Cl |
|---|---|
| Calculated formula | C18 H13 Cl |
| SMILES | Clc1ccc2c(c1)c1c(C2)c2c(cc1C)cccc2 |
| Title of publication | Gold(I)-Catalyzed Intramolecular Tandem Cyclization Reaction of Alkylidenecyclopropane-Containing Alkynes |
| Authors of publication | Fang, Wei; Wei, Yin; Shi, Min |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 20.61 ± 0.003 Å |
| b | 5.5852 ± 0.0007 Å |
| c | 23.364 ± 0.003 Å |
| α | 90° |
| β | 106.224 ± 0.003° |
| γ | 90° |
| Cell volume | 2582.3 ± 0.6 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 | 0.0823 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1199 |
| Weighted residual factors for all reflections included in the refinement | 0.1341 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7120733.cif |
| 201571 | 2017-10-03 | cif/ Adding structures of 7120733, 7120734 via cif-deposit CGI script. |
7120733.cif |
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Users of the data should acknowledge the original authors of the
structural data.