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Information card for entry 7121981
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Coordinates | 7121981.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H20 F6 N4 O S |
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Calculated formula | C22 H20 F5.99995 N4 O S |
Title of publication | Ion-pairing catalysis in the enantioselective addition of hydrazones to N-acyldihydropyrrole derivatives. |
Authors of publication | Zabaleta, Nagore; Uria, Uxue; Reyes, Efraim; Carrillo, Luisa; Vicario, Jose L. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2018 |
Journal volume | 54 |
Journal issue | 64 |
Pages of publication | 8905 - 8908 |
a | 12.62193 ± 0.00018 Å |
b | 13.55916 ± 0.00019 Å |
c | 20.6596 ± 0.0003 Å |
α | 92.8838 ± 0.0011° |
β | 91.5768 ± 0.0011° |
γ | 94.1281 ± 0.0011° |
Cell volume | 3520.38 ± 0.09 Å3 |
Cell temperature | 149.99 ± 0.1 K |
Ambient diffraction temperature | 149.99 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0567 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.1507 |
Weighted residual factors for all reflections included in the refinement | 0.1532 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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