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Information card for entry 4114326
Preview
| Coordinates | 4114326.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,2-oxastibetane |
|---|---|
| Chemical name | 3,4'-Diphenyl-3,4'-bis(trifluoromethyl)-1-[4-(t-butyl)phenyl]spiro [2,1-benzoxastibole-1(3H),2'λ^5^-[1,2-oxastibetane] |
| Formula | C34 H28 F9 O2 Sb |
| Calculated formula | C34 H28 F9 O2 Sb |
| SMILES | [Sb]12(O[C@@]([C@H]1c1ccccc1)(C(F)(F)F)c1ccccc1)(OC(c1c2cccc1)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)C(C)(C)C.[Sb]12(O[C@]([C@@H]1c1ccccc1)(C(F)(F)F)c1ccccc1)(OC(c1c2cccc1)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)C(C)(C)C |
| Title of publication | Synthesis, Structure, and Thermolysis of a Pentacoordinate 1,2-Oxastibetane |
| Authors of publication | Yosuke Uchiyama; Naokazu Kano; Takayuki Kawashima |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 13346 - 13347 |
| a | 9.733 ± 0.002 Å |
| b | 10.284 ± 0.005 Å |
| c | 36.391 ± 0.007 Å |
| α | 97.523 ± 0.006° |
| β | 90.015 ± 0.013° |
| γ | 118.133 ± 0.007° |
| Cell volume | 3176.5 ± 1.8 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1113 |
| Residual factor for significantly intense reflections | 0.0988 |
| Weighted residual factors for significantly intense reflections | 0.1917 |
| Weighted residual factors for all reflections included in the refinement | 0.1964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.382 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178914 (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 4/11/43. |
4114326.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114326.cif |
| 67623 | 2012-10-01 | cif/ Adding structures of 4114326 via cif-deposit CGI script. |
4114326.cif |
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