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Information card for entry 1502395
Preview
Coordinates | 1502395.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H27 N O7 S |
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Calculated formula | C27 H27 N O7 S |
SMILES | S(=O)(=O)([C@@]12C=C([C@@]3(c4c(N(C3=O)C(=O)OC(C)(C)C)cccc4)[C@@]1(C2)C)C(=O)OC)c1ccccc1 |
Title of publication | Tertiary amine-catalyzed chemoselective and asymmetric [3 + 2] annulation of Morita-Baylis-Hillman carbonates of isatins with propargyl sulfones. |
Authors of publication | Peng, Jing; Huang, Xin; Jiang, Lin; Cui, Hai-Lei; Chen, Ying-Chun |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 17 |
Pages of publication | 4584 - 4587 |
a | 9.04 ± 0.003 Å |
b | 13.448 ± 0.004 Å |
c | 10.514 ± 0.003 Å |
α | 90° |
β | 93.69 ± 0.004° |
γ | 90° |
Cell volume | 1275.5 ± 0.7 Å3 |
Cell temperature | 240 ± 2 K |
Ambient diffraction temperature | 240 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0437 |
Residual factor for significantly intense reflections | 0.0361 |
Weighted residual factors for significantly intense reflections | 0.07 |
Weighted residual factors for all reflections included in the refinement | 0.0726 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
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/1502395.html
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