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Information card for entry 4025048
Preview
| Coordinates | 4025048.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Hart 1731 |
|---|---|
| Formula | C16 H26 O3 Si |
| Calculated formula | C16 H26 O3 Si |
| SMILES | [C@@]123[C@H](C(=C([C@H]1[C@](CC(=C2)C)(OC3)OC)C)[Si](C)(C)C)O.[C@]123[C@@H](C(=C([C@@H]1[C@@](CC(=C2)C)(OC3)OC)C)[Si](C)(C)C)O |
| Title of publication | Two Approaches to Diverting the Course of a Free-Radical Cyclization: Application of Cyclopropylcarbinyl Radical Fragmentations and Allenes as Radical Acceptors |
| Authors of publication | Dexi Yang; Valerie Cwynar; Matthew G. Donahue; David J. Hart; Grace Mbogo |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2009 |
| Journal volume | 74 |
| Pages of publication | 8726 - 8732 |
| a | 11.1345 ± 0.0001 Å |
| b | 18.9292 ± 0.0002 Å |
| c | 15.6921 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3307.38 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0561 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.0993 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178429 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/50. |
4025048.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4025048.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4025048.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. |
4025048.cif |
| 948 | 2010-01-19 | cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition. |
4025048.cif |
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