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Information card for entry 4112818
Preview
Coordinates | 4112818.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H34 O Si |
---|---|
Calculated formula | C25 H34 O Si |
SMILES | [Si]1(OC(C(=C1C)c1ccccc1)(c1ccccc1)C)(C(C)(C)C)C(C)(C)C |
Title of publication | Formation and Utility of Oxasilacyclopentenes Derived from Functionalized Alkynes |
Authors of publication | Timothy B. Clark; K. A. Woerpel |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2004 |
Journal volume | 126 |
Pages of publication | 9522 - 9523 |
a | 14.6527 ± 0.0007 Å |
b | 41.0065 ± 0.0019 Å |
c | 7.483 ± 0.0003 Å |
α | 90° |
β | 90.008 ± 0.001° |
γ | 90° |
Cell volume | 4496.2 ± 0.3 Å3 |
Cell temperature | 163 ± 2 K |
Ambient diffraction temperature | 163 ± 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 | 0.1304 |
Residual factor for significantly intense reflections | 0.0713 |
Weighted residual factors for significantly intense reflections | 0.1695 |
Weighted residual factors for all reflections included in the refinement | 0.2072 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178899 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/28. |
4112818.cif |
130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4112818.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4112818.cif |
65234 | 2012-09-05 | cif/ Adding structures of 4112818 via cif-deposit CGI script. |
4112818.cif |
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Users of the data should acknowledge the original authors of the
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