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Information card for entry 4125074
Preview
Coordinates | 4125074.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H40 B2 O2 |
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Calculated formula | C32 H40 B2 O2 |
SMILES | C(=C\B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(B1OC(C(O1)(C)C)(C)C)/c1ccccc1 |
Title of publication | Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2. |
Authors of publication | Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 20 |
Pages of publication | 6662 - 6669 |
a | 9.147 ± 0.003 Å |
b | 9.787 ± 0.003 Å |
c | 31.937 ± 0.01 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2859.1 ± 1.6 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.088 |
Residual factor for significantly intense reflections | 0.0749 |
Weighted residual factors for significantly intense reflections | 0.184 |
Weighted residual factors for all reflections included in the refinement | 0.1978 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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