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Information card for entry 7226214
Preview
| Coordinates | 7226214.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H41 N6 O4 |
|---|---|
| Calculated formula | C50 H41 N6 O4 |
| Title of publication | Phosphine-Catalyzed [3+2] Cycloaddition of Phthalazinium Dicyanomethanides with Allenoates: Highly Efficient Synthesis of 1,2,3,10b-Tetrahydropyrrolo[2,1-a]phthalazine Derivatives |
| Authors of publication | Guo, Hongchao; Zhou, Leijie; Sun, Zhanhu; Yuan, Chunhao |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 16.156 ± 0.003 Å |
| b | 10.118 ± 0.002 Å |
| c | 25.816 ± 0.005 Å |
| α | 90° |
| β | 105.14 ± 0.03° |
| γ | 90° |
| Cell volume | 4073.6 ± 1.5 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 4 |
| 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 | 0.0835 |
| Residual factor for significantly intense reflections | 0.0704 |
| Weighted residual factors for significantly intense reflections | 0.1499 |
| Weighted residual factors for all reflections included in the refinement | 0.1583 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185748 (current) | 2016-08-11 | cif/ Adding structures of 7226213, 7226214, 7226215, 7226216, 7226217 via cif-deposit CGI script. |
7226214.cif |
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Users of the data should acknowledge the original authors of the
structural data.