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Information card for entry 7156440
Preview
Coordinates | 7156440.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H20 N2 |
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Calculated formula | C20 H20 N2 |
Title of publication | A concise synthesis of (E)-3-aryl-2,3,4,5-tetrahydro-1H-3-benzazonines by aryne induced [2,3] Stevens rearrangement of 1,2,3,4-tetrahydroisoquinolines. |
Authors of publication | Pan, Xuan; Ma, Yantao; Liu, Zhanzhu |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2018 |
Journal volume | 16 |
Journal issue | 40 |
Pages of publication | 7393 - 7399 |
a | 7.2034 ± 0.0005 Å |
b | 10.7772 ± 0.0007 Å |
c | 10.7933 ± 0.0007 Å |
α | 103.292 ± 0.006° |
β | 93.266 ± 0.005° |
γ | 105.419 ± 0.006° |
Cell volume | 779.86 ± 0.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0545 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.1043 |
Weighted residual factors for all reflections included in the refinement | 0.1132 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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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The link is: https://www.crystallography.net/7156440.html
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Users of the data should acknowledge the original authors of the
structural data.