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Information card for entry 4037285
Preview
| Coordinates | 4037285.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H52 N4 O |
|---|---|
| Calculated formula | C70 H52 N4 O |
| Title of publication | Zn(OTf)<sub>2</sub>-Catalyzed Synthesis of Imidazole-Substituted Allenes. |
| Authors of publication | Jana, Sourav; Dey, Amrita; Singsardar, Mukta; Bagdi, Avik K.; Hajra, Alakananda |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2016 |
| Journal volume | 81 |
| Journal issue | 19 |
| Pages of publication | 9489 - 9493 |
| a | 28.653 ± 0.006 Å |
| b | 9.7201 ± 0.0019 Å |
| c | 18.842 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5247.7 ± 1.9 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.095 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.12 |
| Weighted residual factors for all reflections included in the refinement | 0.1522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235893 (current) | 2019-11-24 | cif/ Adding structures of 4037285 via cif-deposit CGI script. |
4037285.cif |
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Users of the data should acknowledge the original authors of the
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