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Information card for entry 1506082
Preview
Coordinates | 1506082.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H28 O2 S2 Si |
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Calculated formula | C15 H28 O2 S2 Si |
Title of publication | Cis and trans selective 1,4-addition of a lithium dithioester enolate to 4-O-TBS-2-cyclohexenone. |
Authors of publication | Spivey, Alan C.; Martin, Laetitia J.; Grainger, Damian M.; Ortner, Jörg; White, Andrew J. P. |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 18 |
Pages of publication | 3891 - 3894 |
a | 22.425 ± 0.002 Å |
b | 12.731 ± 0.0011 Å |
c | 13.8126 ± 0.0013 Å |
α | 90° |
β | 105.313 ± 0.008° |
γ | 90° |
Cell volume | 3803.4 ± 0.6 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0953 |
Residual factor for significantly intense reflections | 0.0587 |
Weighted residual factors for significantly intense reflections | 0.1533 |
Weighted residual factors for all reflections included in the refinement | 0.1777 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
Diffraction radiation wavelength | 1.54248 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506082.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506082.cif |
47983 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506082, 1506083 via cif-deposit CGI script. |
1506082.cif |
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Users of the data should acknowledge the original authors of the
structural data.