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Information card for entry 7157612
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Coordinates | 7157612.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H16 Br N O4 S |
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Calculated formula | C21 H16 Br N O4 S |
Title of publication | One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones. |
Authors of publication | Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2020 |
Journal volume | 18 |
Journal issue | 32 |
Pages of publication | 6297 - 6311 |
a | 8.2647 ± 0.0004 Å |
b | 19.7204 ± 0.0011 Å |
c | 11.6058 ± 0.0006 Å |
α | 90° |
β | 95.308 ± 0.002° |
γ | 90° |
Cell volume | 1883.44 ± 0.17 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0372 |
Residual factor for significantly intense reflections | 0.0278 |
Weighted residual factors for significantly intense reflections | 0.0598 |
Weighted residual factors for all reflections included in the refinement | 0.0629 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/7157612.html
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Users of the data should acknowledge the original authors of the
structural data.