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Information card for entry 7113015
Preview
| Coordinates | 7113015.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H33 Br Cl N2 O4.5 S |
|---|---|
| Calculated formula | C34 H33 Br Cl N2 O4.5 S |
| Title of publication | Silver triflate and N-heterocyclic carbene co-catalyzed reaction of N'-(2-alkynylbenzylidene)hydrazide, methanol with alpha,beta-unsaturated aldehyde. |
| Authors of publication | Chen, Zhiyuan; Yu, Xingxin; Wu, Jie |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 34 |
| Pages of publication | 6356 - 6358 |
| a | 12.3918 ± 0.0015 Å |
| b | 12.6265 ± 0.0016 Å |
| c | 12.6305 ± 0.0015 Å |
| α | 109.666 ± 0.002° |
| β | 107.568 ± 0.002° |
| γ | 105.852 ± 0.002° |
| Cell volume | 1612.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1075 |
| Residual factor for significantly intense reflections | 0.0755 |
| Weighted residual factors for significantly intense reflections | 0.2185 |
| Weighted residual factors for all reflections included in the refinement | 0.2363 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.942 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7113015.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7113015.cif |
| 112204 | 2014-04-30 | cif/ Adding structures of 7113015 via cif-deposit CGI script. |
7113015.cif |
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Users of the data should acknowledge the original authors of the
structural data.