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Information card for entry 1552769
Preview
Coordinates | 1552769.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H32 N O2 P S |
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Calculated formula | C24 H32 N O2 P S |
SMILES | S(=O)(N[C@H](C#C[P@@](=O)(c1ccccc1C)c1ccccc1)C(C)(C)C)C(C)(C)C |
Title of publication | Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. |
Authors of publication | Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian |
Journal of publication | Chemical science |
Year of publication | 2020 |
Journal volume | 11 |
Journal issue | 1 |
Pages of publication | 97 - 106 |
a | 6.0745 ± 0.0001 Å |
b | 19.8094 ± 0.0002 Å |
c | 9.9683 ± 0.0001 Å |
α | 90° |
β | 98.06 ± 0.001° |
γ | 90° |
Cell volume | 1187.66 ± 0.03 Å3 |
Cell temperature | 100 ± 0.11 K |
Ambient diffraction temperature | 100 ± 0.11 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 | 0.0328 |
Residual factor for significantly intense reflections | 0.0311 |
Weighted residual factors for significantly intense reflections | 0.0745 |
Weighted residual factors for all reflections included in the refinement | 0.0753 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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