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Information card for entry 7239228
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Coordinates | 7239228.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H24 O S2 |
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Calculated formula | C13 H24 O S2 |
Title of publication | Studies on the double alkylation of 2,2-disubstituted-1,3-dithiacycloalkane-S-oxides: synthesis of tertiary thiol derivatives |
Authors of publication | Fuchs, Christian; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W. |
Journal of publication | RSC Advances |
Year of publication | 2013 |
Journal volume | 3 |
Journal issue | 44 |
Pages of publication | 21911 |
a | 8.1567 ± 0.0006 Å |
b | 6.6861 ± 0.0005 Å |
c | 12.7905 ± 0.001 Å |
α | 90° |
β | 97.2784 ± 0.0011° |
γ | 90° |
Cell volume | 691.93 ± 0.09 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0279 |
Residual factor for significantly intense reflections | 0.0263 |
Weighted residual factors for significantly intense reflections | 0.0655 |
Weighted residual factors for all reflections included in the refinement | 0.0665 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
7239228.cif |
244608 | 2019-11-28 | cif/ Adding structures of 7239225, 7239226, 7239227, 7239228, 7239229, 7239230 via cif-deposit CGI script. |
7239228.cif |
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Users of the data should acknowledge the original authors of the
structural data.