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Information card for entry 1551737
Preview
Coordinates | 1551737.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H31 B O2 |
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Calculated formula | C23 H31 B O2 |
SMILES | B1(c2c(C)cc(C)cc2C)Oc2c(cc(cc2O1)C(C)(C)C)C(C)(C)C |
Title of publication | Synthesis and Molecular Structure of 4,6-Di-tert-butyl-2-mesitylbenzo-[d][1,3,2]dioxaborole |
Authors of publication | GEIER, Michael J.; VOGELS, Christopher M.; DECKEN, Andreas; WESTCOTT, Stephen A. |
Journal of publication | X-ray Structure Analysis Online |
Year of publication | 2011 |
Journal volume | 27 |
Pages of publication | 33 |
a | 15.017 ± 0.003 Å |
b | 9.6038 ± 0.0019 Å |
c | 15.896 ± 0.003 Å |
α | 90° |
β | 113.712 ± 0.003° |
γ | 90° |
Cell volume | 2099 ± 0.7 Å3 |
Cell temperature | 198 ± 1 K |
Ambient diffraction temperature | 198 ± 1 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 | 0.0713 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.1032 |
Weighted residual factors for all reflections included in the refinement | 0.1298 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1551737.html
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