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Information card for entry 7101185
Preview
| Coordinates | 7101185.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H32 O3 |
|---|---|
| Calculated formula | C23 H32 O3 |
| SMILES | O[C@H]([C@@H]([C@@H]([C@@H](OC)c1ccccc1)C=C)C)C(C)C.Oc1ccccc1.O[C@@H]([C@H]([C@H]([C@H](OC)c1ccccc1)C=C)C)C(C)C.Oc1ccccc1 |
| Title of publication | Hosomi-Sakurai Reactions of Silacyclic Allyl Silanes |
| Authors of publication | Jonathan D. Sellars; Patrick G. Steel; Michael J. Turner |
| Journal of publication | Chemical Communications |
| Year of publication | 2006 |
| Journal issue | 22 |
| a | 8.2609 ± 0.0003 Å |
| b | 10.8798 ± 0.0004 Å |
| c | 11.7925 ± 0.0005 Å |
| α | 79.854 ± 0.002° |
| β | 79.837 ± 0.002° |
| γ | 89.219 ± 0.002° |
| Cell volume | 1026.76 ± 0.07 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0849 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1089 |
| Weighted residual factors for all reflections included in the refinement | 0.1227 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277870 (current) | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
7101185.cif |
| 180113 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/11. |
7101185.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7101185.cif |
| 91955 | 2013-12-31 | cod/ (saulius@koala.ibt.lt) Removing '_journal_page_first ?' data items from a bunch of COD CIFs so that the quastion mark does not appear in the COD SQL tables as a page number. |
7101185.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7101185.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7101185.cif |
| 271 | 2008-03-15 | Adding CIF files from the Chem-Comm-2006-20_48/ deposion. |
7101185.cif |
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Users of the data should acknowledge the original authors of the
structural data.