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Information card for entry 1555250
Preview
Coordinates | 1555250.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H18 O2 |
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Calculated formula | C19 H18 O2 |
SMILES | o1c(=O)c2c(cccc2c(c1C(C)C)c1ccccc1)C |
Title of publication | Site-selective C-H activation and regiospecific annulation using propargylic carbonates. |
Authors of publication | Lu, Qingquan; Mondal, Shobhan; Cembellín, Sara; Greßies, Steffen; Glorius, Frank |
Journal of publication | Chemical science |
Year of publication | 2019 |
Journal volume | 10 |
Journal issue | 26 |
Pages of publication | 6560 - 6564 |
a | 8.2948 ± 0.0003 Å |
b | 9.5359 ± 0.0003 Å |
c | 10.0158 ± 0.0003 Å |
α | 75.291 ± 0.002° |
β | 74.899 ± 0.002° |
γ | 86.594 ± 0.002° |
Cell volume | 739.79 ± 0.04 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0536 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.1027 |
Weighted residual factors for all reflections included in the refinement | 0.1113 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
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/1555250.html
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