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Information card for entry 1501923
Preview
| Coordinates | 1501923.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C128 H112 Na2 O16 P2 Si4 |
|---|---|
| Calculated formula | C128 H112 Na2 O16 P2 Si4 |
| SMILES | [Na]([O]=C(C)OCC)([O]=P1(Oc2c(c3ccccc3cc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2c(O1)c([Si](c1ccccc1)(c1ccccc1)c1ccccc1)cc1c2cccc1)O[Na]1[O]=C(C)OCC)OP2(=[O]1)Oc1c(c3ccccc3cc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(O2)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2c1cccc2.O=C(C)OCC.O=C(C)OCC |
| Title of publication | Enantioselective haloetherification by asymmetric opening of meso-halonium ions. |
| Authors of publication | Hennecke, Ulrich; Müller, Christian H; Fröhlich, Roland |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 5 |
| Pages of publication | 860 - 863 |
| a | 14.2979 ± 0.0002 Å |
| b | 14.5398 ± 0.0002 Å |
| c | 15.7308 ± 0.0003 Å |
| α | 71.49 ± 0.001° |
| β | 87.882 ± 0.001° |
| γ | 65.423 ± 0.001° |
| Cell volume | 2802.94 ± 0.08 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.085 |
| Residual factor for significantly intense reflections | 0.0721 |
| Weighted residual factors for significantly intense reflections | 0.1633 |
| Weighted residual factors for all reflections included in the refinement | 0.1767 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1501923.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501923.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501923.cif |
| 35264 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501923 via cif-deposit CGI script. |
1501923.cif |
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