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Information card for entry 4131885
Preview
| Coordinates | 4131885.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H60 B6 O12 |
|---|---|
| Calculated formula | C36 H60 B6 O12 |
| Title of publication | Carbohydrate/DBU Cocatalyzed Alkene Diboration: Mechanistic Insight Provides Enhanced Catalytic Efficiency and Substrate Scope. |
| Authors of publication | Yan, Lu; Meng, Yan; Haeffner, Fredrik; Leon, Robert M.; Crockett, Michael P.; Morken, James P. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 10 |
| Pages of publication | 3663 - 3673 |
| a | 10.9587 ± 0.0004 Å |
| b | 19.3545 ± 0.0007 Å |
| c | 19.5983 ± 0.0009 Å |
| α | 90° |
| β | 96.063 ± 0.002° |
| γ | 90° |
| Cell volume | 4133.6 ± 0.3 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 | 0.1049 |
| Residual factor for significantly intense reflections | 0.0667 |
| Weighted residual factors for significantly intense reflections | 0.1701 |
| Weighted residual factors for all reflections included in the refinement | 0.1951 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241979 (current) | 2019-11-25 | cif/ Adding structures of 4131885 via cif-deposit CGI script. |
4131885.cif |
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