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Information card for entry 4133908
Preview
Coordinates | 4133908.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H13 Br O |
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Calculated formula | C16 H13 Br O |
SMILES | Brc1ccc(cc1)C(O)CC#Cc1ccccc1 |
Title of publication | α-C-H Functionalization of π-Bonds Using Iron Complexes: Catalytic Hydroxyalkylation of Alkynes and Alkenes. |
Authors of publication | Wang, Yidong; Zhu, Jin; Durham, Austin C.; Lindberg, Haley; Wang, Yi-Ming |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 50 |
Pages of publication | 19594 - 19599 |
a | 9.2388 ± 0.0003 Å |
b | 9.285 ± 0.0003 Å |
c | 16.9164 ± 0.0005 Å |
α | 99.14 ± 0.001° |
β | 93.674 ± 0.001° |
γ | 107.59 ± 0.001° |
Cell volume | 1355.99 ± 0.07 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0427 |
Residual factor for significantly intense reflections | 0.0416 |
Weighted residual factors for significantly intense reflections | 0.1205 |
Weighted residual factors for all reflections included in the refinement | 0.1218 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.562 |
Diffraction radiation wavelength | 1.54178 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/4133908.html
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