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Information card for entry 4030764
Preview
| Coordinates | 4030764.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H12 F12 O2 Si |
|---|---|
| Calculated formula | C20 H12 F12 O2 Si |
| SMILES | [Si]12(OC(c3c1ccc(c3)C)(C(F)(F)F)C(F)(F)F)OC(c1c2ccc(c1)C)(C(F)(F)F)C(F)(F)F |
| Title of publication | Versatile Access to Martin's Spirosilanes and Their Hypervalent Derivatives. |
| Authors of publication | Lenormand, Hugo; Corcé, Vincent; Sorin, Geoffroy; Chhun, Christine; Chamoreau, Lise-Marie; Krim, Lahouari; Zins, Emilie-Laure; Goddard, Jean-Philippe; Fensterbank, Louis |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2015 |
| Journal volume | 80 |
| Journal issue | 6 |
| Pages of publication | 3280 - 3288 |
| a | 9.3373 ± 0.0002 Å |
| b | 20.6773 ± 0.0004 Å |
| c | 12.0406 ± 0.0003 Å |
| α | 90° |
| β | 109.931 ± 0.001° |
| γ | 90° |
| Cell volume | 2185.44 ± 0.08 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0347 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0894 |
| Weighted residual factors for all reflections included in the refinement | 0.0918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4030764.cif |
| 178486 | 2016-03-21 | cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/07. |
4030764.cif |
| 134828 | 2015-04-04 | cif/ Updating files of 4030763, 4030764, 4030765, 4030766 Original log message: Adding full bibliography for 4030763--4030766.cif. |
4030764.cif |
| 133048 | 2015-03-05 | cif/ Adding structures of 4030763, 4030764, 4030765, 4030766 via cif-deposit CGI script. |
4030764.cif |
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