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Information card for entry 4132291
Preview
Coordinates | 4132291.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H24 N2 O2 S |
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Calculated formula | C24 H24 N2 O2 S |
SMILES | S(=O)(=O)(N1N=C(c2cc3c(cccc3)cc2)C[C@@]1(C(=C)C)C)c1ccc(cc1)C |
Title of publication | Asymmetric Aza-Wacker-Type Cyclization of N-Ts Hydrazine-Tethered Tetrasubstituted Olefins: Synthesis of Pyrazolines Bearing One Quaternary or Two Vicinal Stereocenters. |
Authors of publication | Kou, Xuezhen; Shao, Qihang; Ye, Chenghao; Yang, Guoqiang; Zhang, Wanbin |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 24 |
Pages of publication | 7587 - 7597 |
a | 11.557 ± 0.004 Å |
b | 12.498 ± 0.004 Å |
c | 14.777 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2134.4 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0344 |
Residual factor for significantly intense reflections | 0.0321 |
Weighted residual factors for significantly intense reflections | 0.0897 |
Weighted residual factors for all reflections included in the refinement | 0.0914 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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