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Information card for entry 1567833
Preview
| Coordinates | 1567833.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | HX-91 |
|---|---|
| Formula | C450 H342 N18 O36 |
| Calculated formula | C450 H342 N18 O36 |
| Title of publication | Phosphine-catalyzed activation of cyclopropenones: a versatile C<sub>3</sub> synthon for (3+2) annulations with unsaturated electrophiles. |
| Authors of publication | He, Xin; Ma, Pengchen; Tang, Yuhai; Li, Jing; Shen, Shenyu; Lear, Martin J.; Houk, K. N.; Xu, Silong |
| Journal of publication | Chemical science |
| Year of publication | 2022 |
| Journal volume | 13 |
| Journal issue | 43 |
| Pages of publication | 12769 - 12775 |
| a | 32.848 ± 0.015 Å |
| b | 32.848 ± 0.015 Å |
| c | 10.842 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 10131 ± 11 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0767 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1233 |
| Weighted residual factors for all reflections included in the refinement | 0.145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280172 (current) | 2023-01-06 | cif/ Updating files of 1567832, 1567833, 1567834 Original log message: Adding full bibliography for 1567832--1567834.cif. |
1567833.cif |
| 278752 | 2022-10-25 | cif/ Adding structures of 1567832, 1567833, 1567834 via cif-deposit CGI script. |
1567833.cif |
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Users of the data should acknowledge the original authors of the
structural data.