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Information card for entry 1545940
Preview
Coordinates | 1545940.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H26 N2 O3 S |
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Calculated formula | C26 H26 N2 O3 S |
SMILES | S(=O)(=O)(c1ccc(cc1)C)N1C(/C=C/C(=O)N(C)C)Cc2c(c3c1cccc3)cccc2 |
Title of publication | Diastereoselective Synthesis of Dibenzo[b,d]azepines by Pd(II)-Catalyzed [5 + 2] Annulation of o-Arylanilines with Dienes. |
Authors of publication | Bai, Lu; Wang, Yan; Ge, Yicong; Liu, Jingjing; Luan, Xinjun |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 7 |
Pages of publication | 1734 - 1737 |
a | 18.154 ± 0.009 Å |
b | 19.79 ± 0.01 Å |
c | 13.725 ± 0.008 Å |
α | 90° |
β | 112.371 ± 0.007° |
γ | 90° |
Cell volume | 4560 ± 4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1219 |
Residual factor for significantly intense reflections | 0.0554 |
Weighted residual factors for significantly intense reflections | 0.1262 |
Weighted residual factors for all reflections included in the refinement | 0.1697 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
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/1545940.html
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