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Information card for entry 1556911
Preview
Coordinates | 1556911.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H21 F3 N2 O4 S |
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Calculated formula | C24 H21 F3 N2 O4 S |
SMILES | S(=O)(=O)(N1N(C[C@@H]1c1ccc(cc1)C(F)(F)F)C(=O)OCc1ccccc1)c1ccc(cc1)C |
Title of publication | Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality. |
Authors of publication | Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael |
Journal of publication | Chemical science |
Year of publication | 2020 |
Journal volume | 11 |
Journal issue | 6 |
Pages of publication | 1636 - 1642 |
a | 32.8358 ± 0.0003 Å |
b | 11.60538 ± 0.0001 Å |
c | 5.85758 ± 0.00007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2232.16 ± 0.04 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0618 |
Residual factor for significantly intense reflections | 0.0616 |
Weighted residual factors for significantly intense reflections | 0.1477 |
Weighted residual factors for all reflections included in the refinement | 0.1478 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1556911.html
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