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Information card for entry 7225213
Preview
| Coordinates | 7225213.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H32 N2 O |
|---|---|
| Calculated formula | C39 H32 N2 O |
| Title of publication | Stoichiometry-controlled cycloaddition of nitrilimines with unsymmetrical exocyclic dienones: Microwave-assisted synthesis of novel mono- and dispiropyrazoline derivatives |
| Authors of publication | gazzeh, houda gazzeh; Boudriga, Sarra; Askri, Moheddine; Khatyr, Abderrahim; Knorr, Michael; Strohman, Carsten; Golz, Christopher; Rousselin, Yoann; Kubicki, Marek |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 18.2934 ± 0.0004 Å |
| b | 9.6683 ± 0.0002 Å |
| c | 18.2645 ± 0.0003 Å |
| α | 90° |
| β | 115.433 ± 0.001° |
| γ | 90° |
| Cell volume | 2917.31 ± 0.1 Å3 |
| Cell temperature | 115 ± 2 K |
| Ambient diffraction temperature | 115 ± 2 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 | 0.1095 |
| Residual factor for significantly intense reflections | 0.0757 |
| Weighted residual factors for significantly intense reflections | 0.1832 |
| Weighted residual factors for all reflections included in the refinement | 0.2088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182902 (current) | 2016-05-12 | cif/ Adding structures of 7225213, 7225214 via cif-deposit CGI script. |
7225213.cif |
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