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Information card for entry 4032032
Preview
Coordinates | 4032032.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H30 N2 O2 S |
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Calculated formula | C29 H30 N2 O2 S |
SMILES | S([C@@H]1[C@@]2([C@@H](NC1=O)c1ccc(cc1)C(C)(C)C)c1ccccc1N(C2=O)C)c1ccc(cc1)C.S([C@H]1[C@]2([C@H](NC1=O)c1ccc(cc1)C(C)(C)C)c1ccccc1N(C2=O)C)c1ccc(cc1)C |
Title of publication | Organocatalytic One-Pot Asymmetric Synthesis of Thiolated Spiro-γ-lactam Oxindoles Bearing Three Stereocenters. |
Authors of publication | Huang, Xin; Liu, Miao; Pham, Kenny; Zhang, Xiaofeng; Yi, Wen-Bin; Jasinski, Jerry P.; Zhang, Wei |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 13 |
Pages of publication | 5362 - 5369 |
a | 8.4691 ± 0.0003 Å |
b | 16.8355 ± 0.0008 Å |
c | 19.884 ± 0.0007 Å |
α | 90° |
β | 90.96 ± 0.003° |
γ | 90° |
Cell volume | 2834.7 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1258 |
Residual factor for significantly intense reflections | 0.0851 |
Weighted residual factors for significantly intense reflections | 0.2326 |
Weighted residual factors for all reflections included in the refinement | 0.2707 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4032032.html
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Users of the data should acknowledge the original authors of the
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