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Information card for entry 4034593
Preview
| Coordinates | 4034593.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H27 N O3 |
|---|---|
| Calculated formula | C30 H27 N O3 |
| Title of publication | Stereo- and Regioselective 1,3-Dipolar Cycloaddition of the Stable Ninhydrin-Derived Azomethine Ylide to Cyclopropenes: Trapping of Unstable Cyclopropene Dipolarophiles. |
| Authors of publication | Filatov, Alexander S.; Wang, Siqi; Khoroshilova, Olesya V.; Lozovskiy, Stanislav V.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| Journal volume | 84 |
| Journal issue | 11 |
| Pages of publication | 7017 - 7036 |
| a | 16.4257 ± 0.0002 Å |
| b | 18.3154 ± 0.0001 Å |
| c | 16.5931 ± 0.0002 Å |
| α | 90° |
| β | 111.952 ± 0.001° |
| γ | 90° |
| Cell volume | 4629.99 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0441 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.105 |
| Weighted residual factors for all reflections included in the refinement | 0.1071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223079 (current) | 2019-11-04 | cif/ Adding structures of 4034593 via cif-deposit CGI script. |
4034593.cif |
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Users of the data should acknowledge the original authors of the
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