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Information card for entry 4126228
Preview
Coordinates | 4126228.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H49 B O Si |
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Calculated formula | C28 H49 B O Si |
SMILES | [Si]1(O[C@H]([C@@H]([C@@H](B(CC)CC)[C@@H](C1)CC)c1ccccc1)/C=C/C)(C(C)(C)C)C(C)(C)C |
Title of publication | Uncatalyzed Carboboration of Seven-Membered-Ring trans-Alkenes: Formation of Air-Stable Trialkylboranes. |
Authors of publication | Sanzone, Jillian R.; Hu, Chunhua T.; Woerpel, K. A. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 25 |
Pages of publication | 8404 - 8407 |
a | 9.1353 ± 0.0011 Å |
b | 14.1491 ± 0.0017 Å |
c | 11.2404 ± 0.0013 Å |
α | 90° |
β | 108.677 ± 0.002° |
γ | 90° |
Cell volume | 1376.4 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0553 |
Residual factor for significantly intense reflections | 0.0454 |
Weighted residual factors for significantly intense reflections | 0.0981 |
Weighted residual factors for all reflections included in the refinement | 0.1019 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
200668 (current) | 2017-09-12 | cif/ Updating files of 4126227, 4126228 Original log message: Adding full bibliography for 4126227--4126228.cif. |
4126228.cif |
197891 | 2017-06-17 | cif/ Adding structures of 4126228 via cif-deposit CGI script. |
4126228.cif |
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