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Information card for entry 1551290
Preview
| Coordinates | 1551290.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | FBpin?nPr2Im |
|---|---|
| Formula | C15 H28 B F N2 O2 |
| Calculated formula | C15 H28 B F N2 O2 |
| SMILES | F[B]1(OC(C(O1)(C)C)(C)C)=C1N(C=CN1CCC)CCC |
| Title of publication | FBpin and its Adducts and their Role in Catalytic Borylations |
| Authors of publication | Kuehn, Laura; Stang, Martin; Würtemberger-Pietsch, Sabrina; Friedrich, Alexandra; Schneider, Heidi; Radius, Udo; Marder, Todd B. |
| Journal of publication | Faraday Discussions |
| Year of publication | 2019 |
| a | 24.782 ± 0.007 Å |
| b | 24.782 ± 0.007 Å |
| c | 14.217 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 7562 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c :H |
| Hall space group symbol | R 3 -2"c |
| Residual factor for all reflections | 0.037 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0712 |
| Weighted residual factors for all reflections included in the refinement | 0.0743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215773 (current) | 2019-06-08 | cif/ Adding structures of 1551290 via cif-deposit CGI script. |
1551290.cif |
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