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Information card for entry 7158618
Preview
Coordinates | 7158618.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H23 B Cl3 N O3 |
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Calculated formula | C17 H23 B Cl3 N O3 |
Title of publication | Regio- and stereoselective copper-catalyzed α,β-protoboration of allenoates: access to <i>Z</i>-β,γ-unsaturated β-boryl esters. |
Authors of publication | Szwetkowski, Connor; Slebodnick, Carla; Santos, Webster L. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2022 |
Journal volume | 20 |
Journal issue | 16 |
Pages of publication | 3287 - 3291 |
a | 8.8732 ± 0.0003 Å |
b | 23.4482 ± 0.0005 Å |
c | 10.733 ± 0.0003 Å |
α | 90° |
β | 109.856 ± 0.003° |
γ | 90° |
Cell volume | 2100.35 ± 0.11 Å3 |
Cell temperature | 99.99 ± 0.13 K |
Ambient diffraction temperature | 99.99 ± 0.13 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0557 |
Residual factor for significantly intense reflections | 0.0535 |
Weighted residual factors for significantly intense reflections | 0.1462 |
Weighted residual factors for all reflections included in the refinement | 0.1481 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7158618.html
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Users of the data should acknowledge the original authors of the
structural data.