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Information card for entry 7222353
Preview
| Coordinates | 7222353.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H22 N2 O2 |
|---|---|
| Calculated formula | C27 H22 N2 O2 |
| SMILES | n12nc(c(c1c1ccccc1cc2c1ccccc1)CCC(=O)O)c1ccc(cc1)C |
| Title of publication | An unexpected three-component reaction of 2-alkylenecyclobutanone, N'-(2-alkynylbenzylidene)hydrazide with water |
| Authors of publication | Pan, Xiaolin; Wang, He; xia, hongguang; Wu, Jie |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 9.458 ± 0.002 Å |
| b | 10.741 ± 0.003 Å |
| c | 11.55 ± 0.003 Å |
| α | 72.789 ± 0.004° |
| β | 81.884 ± 0.004° |
| γ | 68.844 ± 0.004° |
| Cell volume | 1044.5 ± 0.5 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0691 |
| Residual factor for significantly intense reflections | 0.0555 |
| Weighted residual factors for significantly intense reflections | 0.1621 |
| Weighted residual factors for all reflections included in the refinement | 0.1837 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 159055 (current) | 2015-09-30 | cif/ Adding structures of 7222353 via cif-deposit CGI script. |
7222353.cif |
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Users of the data should acknowledge the original authors of the
structural data.