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Information card for entry 4030766
Preview
| Coordinates | 4030766.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H40 F26 Na2 O12 Si2 |
|---|---|
| Calculated formula | C46 H40 F26 Na2 O12 Si2 |
| SMILES | [Si]123([F]4[Na]5([F]C(F)(F)C([O]15)(c1c3ccc(OC)c1)C(F)(F)F)([O]=C(C)C)([OH2])[F]1[Si]35(OC(c6c3ccc(OC)c6)(C(F)(F)F)C(F)(F)F)[O]3[Na]41([F]C(F)(F)C3(c1c5ccc(OC)c1)C(F)(F)F)([O]=C(C)C)[OH2])OC(c1c2ccc(OC)c1)(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 | 9.7682 ± 0.0002 Å |
| b | 12.0747 ± 0.0002 Å |
| c | 12.4636 ± 0.0003 Å |
| α | 76.595 ± 0.001° |
| β | 87.118 ± 0.001° |
| γ | 78.923 ± 0.001° |
| Cell volume | 1403.34 ± 0.05 Å3 |
| Cell temperature | 200 ± 1 K |
| Ambient diffraction temperature | 200 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.1047 |
| Weighted residual factors for all reflections included in the refinement | 0.1183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289268 (current) | 2024-02-02 | Fixing some Z values and formulae |
4030766.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. |
4030766.cif |
| 134828 | 2015-04-04 | cif/ Updating files of 4030763, 4030764, 4030765, 4030766 Original log message: Adding full bibliography for 4030763--4030766.cif. |
4030766.cif |
| 133048 | 2015-03-05 | cif/ Adding structures of 4030763, 4030764, 4030765, 4030766 via cif-deposit CGI script. |
4030766.cif |
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Users of the data should acknowledge the original authors of the
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