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Information card for entry 1543938
Preview
Coordinates | 1543938.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H27 F3 N6 O2 S |
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Calculated formula | C32 H27 F3 N6 O2 S |
SMILES | S(=O)(=O)(N1CC2=NN(c3ccccc3)/C(=N/N=C/C(F)(F)F)N2[C@@H]([C@H]1c1ccccc1)c1ccccc1)c1ccc(cc1)C |
Title of publication | Electrophilic Reaction of 2,2,2-Trifluorodiazoethane with the in Situ Generated N-Heterocyclic Carbenes: Access to N-Aminoguanidines. |
Authors of publication | Guo, Ran; Zheng, Yan; Ma, Jun-An |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 17 |
Pages of publication | 4170 - 4173 |
a | 9.6443 ± 0.0014 Å |
b | 11.0756 ± 0.0015 Å |
c | 28.466 ± 0.004 Å |
α | 90° |
β | 94.032 ± 0.002° |
γ | 90° |
Cell volume | 3033.1 ± 0.7 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 | 0.0608 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.1234 |
Weighted residual factors for all reflections included in the refinement | 0.1348 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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