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Information card for entry 1554424
Preview
Coordinates | 1554424.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H25 F N2 O5 S |
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Calculated formula | C27 H25 F N2 O5 S |
SMILES | S(=O)(=O)(N1C(=O)[C@@]2([C@@](c3ccc(cc3)CCCC)(C2)CF)c2c1cccc2)c1ccc(cc1)N(=O)=O |
Title of publication | Catalytic enantioselective synthesis of cyclopropanes featuring vicinal all-carbon quaternary stereocenters with a CH2F group; study of the influence of C‒F⋯H‒N interactions on reactivity |
Authors of publication | Cao, Zhong-Yan; Wang, Wenmin; Liao, Kui; Wang, Xiaoming; Zhou, Jian; Ma, Jing |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2018 |
Journal volume | 5 |
Journal issue | 20 |
Pages of publication | 2960 |
a | 13.42 ± 0.002 Å |
b | 5.3749 ± 0.0008 Å |
c | 17.821 ± 0.003 Å |
α | 90° |
β | 105.381 ± 0.005° |
γ | 90° |
Cell volume | 1239.4 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1349 |
Residual factor for significantly intense reflections | 0.0661 |
Weighted residual factors for significantly intense reflections | 0.1551 |
Weighted residual factors for all reflections included in the refinement | 0.1967 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/1554424.html
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