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Information card for entry 7231605
Preview
Coordinates | 7231605.cif |
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Original paper (by DOI) | HTML |
Chemical name | ethyl (S)-3-nitro-2-phenyl-2,5-dihydrothiophene-2-carboxylate |
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Formula | C13 H13 N O4 S |
Calculated formula | C13 H13 N O4 S |
Title of publication | Organocatalytic sulfa-Michael/aldol cascade: constructing functionalized 2,5-dihydrothiophenes bearing a quaternary carbon stereocenter |
Authors of publication | Zhu, Xiao-Yu; Lv, Mei-Heng; Zhao, Ya-Nan; Lan, Li-Yan; Li, Wen-Ze; Xiao, Lin-Jiu |
Journal of publication | RSC Advances |
Year of publication | 2018 |
Journal volume | 8 |
Journal issue | 59 |
Pages of publication | 34000 |
a | 7.906 ± 0.001 Å |
b | 10.5987 ± 0.0014 Å |
c | 16.01 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1341.5 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0304 |
Residual factor for significantly intense reflections | 0.0282 |
Weighted residual factors for significantly intense reflections | 0.0771 |
Weighted residual factors for all reflections included in the refinement | 0.0786 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/7231605.html
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