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Information card for entry 8107465
Preview
| Coordinates | 8107465.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H20 B N O3 |
|---|---|
| Calculated formula | C10 H20 B N O3 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)N1CCOCC1 |
| Title of publication | The crystal structure of 4–(4,4,5,5–tetramethyl–1,3,2–dioxaborolan–2–yl)morpholine, C10H20BNO3 |
| Authors of publication | Herbig, Marcus; Böhme, Uwe |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 3 |
| Pages of publication | 449 - 450 |
| a | 11.0681 ± 0.0008 Å |
| b | 6.1883 ± 0.0003 Å |
| c | 18.1603 ± 0.0013 Å |
| α | 90° |
| β | 105.111 ± 0.006° |
| γ | 90° |
| Cell volume | 1200.84 ± 0.14 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0439 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0782 |
| Weighted residual factors for all reflections included in the refinement | 0.0861 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285148 (current) | 2023-07-11 | cif/ Adding structures of 8107465 via cif-deposit CGI script. |
8107465.cif |
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Users of the data should acknowledge the original authors of the
structural data.