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Information card for entry 4114619
Preview
| Coordinates | 4114619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Z-7-Chloro-3,4-dimethyl-1,6,7-tris(tri-tert-butylsilyl)- 1,6,7-trigermabicyclo[4.1.0]hept-3-ene |
|---|---|
| Formula | C42 H91 Cl Ge3 Si3 |
| Calculated formula | C42 H91 Cl Ge3 Si3 |
| SMILES | [Ge]12([Ge]([Ge]1(Cl)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)CC(=C(C2)C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C |
| Title of publication | The First Halogen-Substituted Cyclotrigermenes: A Unique Halogen Walk over the Three-Membered Ring Skeleton and Facial Stereoselectivity in the Diels-Alder Reaction |
| Authors of publication | Akira Sekiguchi; Yutaka Ishida; Norihisa Fukaya; Masaaki Ichinohe; Nozomi Takagi; Shigeru Nagase |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2002 |
| Journal volume | 124 |
| Pages of publication | 1158 - 1159 |
| a | 13.509 ± 0.0004 Å |
| b | 31.036 ± 0.001 Å |
| c | 13.269 ± 0.0005 Å |
| α | 90° |
| β | 116.324 ± 0.002° |
| γ | 90° |
| Cell volume | 4986.3 ± 0.3 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0571 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.0876 |
| Weighted residual factors for all reflections included in the refinement | 0.0955 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178917 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/46. |
4114619.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114619.cif |
| 67951 | 2012-10-09 | cif/ Adding structures of 4114619 via cif-deposit CGI script. |
4114619.cif |
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