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CIF Information Card
Information card for 2015378
2015377 << 2015378 >> 2015379Preview
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Coordinates |
2015378.cif |
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Original IUCr paper |
HTML |
Structure parameters
| Common name | Compound II |
| Chemical name | (2Z)-6-benzyl-2-buten-2-yl-1,3,6,2-dioxazaborocane |
| Formula | - C27 H30 B N O2 - |
| Calculated formula | - C27 H30 B N O2 - |
| Title of publication | Three chiral vinyl dioxazaborocanes |
| Authors of publication | Olmstead, Marilyn M.; Fettinger, James C.; Gamsey, Soya; Clary, Jacob W.; Singaram, Bakthan |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 6 |
| Pages of publication | o333 - o335 |
| a | 12.0141 ± 0.0004 Å |
| b | 12.3388 ± 0.0005 Å |
| c | 15.6913 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2326.07 ± 0.15 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Residual factor for all reflections | 0.0436 |
| Residual factor for observed reflections | 0.0374 |
| Weighted residual factors for the observed reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.0992 |
| Goodness-of-fit parameter for observed reflections | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |