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Information card for entry 1543437
Preview
Coordinates | 1543437.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H23 F4 N2 O2 S |
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Calculated formula | C21 H23 F4 N2 O2 S |
SMILES | CC(C)(C)S(N[C@H](C(F)(F)F)[C@]1(c2ccccc2N(C1=O)Cc1ccccc1)F)=O |
Title of publication | Detrifluoroacetylative in Situ Generation of Free 3-Fluoroindolin-2-one-Derived Tertiary Enolates: Design, Synthesis, and Assessment of Reactivity toward Asymmetric Mannich Reactions. |
Authors of publication | Xie, Chen; Zhang, Lijun; Sha, Wanxing; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 13 |
Pages of publication | 3270 - 3273 |
a | 14.501 ± 0.002 Å |
b | 8.8433 ± 0.0014 Å |
c | 17.883 ± 0.003 Å |
α | 90° |
β | 107.206 ± 0.003° |
γ | 90° |
Cell volume | 2190.6 ± 0.6 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 | 0.0657 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.1231 |
Weighted residual factors for all reflections included in the refinement | 0.1361 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/1543437.html
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