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Information card for entry 7157596
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Coordinates | 7157596.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | prs315B |
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Formula | C2.483 H2.345 N0.138 S0.138 |
Calculated formula | C2.48276 H2.34483 N0.137931 S0.137931 |
Title of publication | Transition metal-free synthesis of sterically hindered allylarenes from 5-hexene-2-one. |
Authors of publication | Shaw, Ranjay; Althagafi, Ismail; Elagamy, Amr; Rai, Reeta; Shah, Chandan; Nemaysh, Vishal; Singh, Harpreet; Pratap, Ramendra |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2020 |
Journal volume | 18 |
Journal issue | 32 |
Pages of publication | 6276 - 6286 |
a | 9.0216 ± 0.0003 Å |
b | 10.1719 ± 0.0003 Å |
c | 17.318 ± 0.0007 Å |
α | 90° |
β | 101.519 ± 0.004° |
γ | 90° |
Cell volume | 1557.21 ± 0.1 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0675 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.0899 |
Weighted residual factors for all reflections included in the refinement | 0.099 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0456 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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