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Information card for entry 1504594
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Coordinates | 1504594.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (Sp,Ss)*-4-methylsulfinyl-[2.2]-paracyclophane |
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Formula | C17 H18 O S |
Calculated formula | C17 H18 O S |
SMILES | C1Cc2c(cc(cc2)CCc2ccc1cc2)S(=O)C |
Title of publication | An efficient and straightforward access to sulfur substituted [2.2]paracyclophanes: application to stereoselective sulfenate salt alkylation. |
Authors of publication | Lohier, Jean-François; Foucoin, Florian; Jaffrès, Paul-Alain; Garcia, José I; Sopková-de Oliveira Santos, Jana; Perrio, Stéphane; Metzner, Patrick |
Journal of publication | Organic letters |
Year of publication | 2008 |
Journal volume | 10 |
Journal issue | 6 |
Pages of publication | 1271 - 1274 |
a | 13.8811 ± 0.0009 Å |
b | 9.2532 ± 0.0006 Å |
c | 10.656 ± 0.0007 Å |
α | 90° |
β | 93.048 ± 0.004° |
γ | 90° |
Cell volume | 1366.77 ± 0.15 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0486 |
Residual factor for significantly intense reflections | 0.0357 |
Weighted residual factors for significantly intense reflections | 0.1033 |
Weighted residual factors for all reflections included in the refinement | 0.1186 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
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/1504594.html
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