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Information card for entry 4027138
Preview
Coordinates | 4027138.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H33 B O2 Si2 |
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Calculated formula | C18 H33 B O2 Si2 |
SMILES | [Si](C)(C)(C)c1cc(B2OC(C(O2)(C)C)(C)C)ccc1[Si](C)(C)C |
Title of publication | Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions |
Authors of publication | Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 3518 - 3523 |
a | 11.5399 ± 0.0007 Å |
b | 13.0173 ± 0.0008 Å |
c | 29.3178 ± 0.0019 Å |
α | 90° |
β | 95.778 ± 0.005° |
γ | 90° |
Cell volume | 4381.7 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.1259 |
Residual factor for significantly intense reflections | 0.0546 |
Weighted residual factors for significantly intense reflections | 0.1031 |
Weighted residual factors for all reflections included in the refinement | 0.1231 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.822 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4027138.html
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