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Information card for entry 4071690
Preview
| Coordinates | 4071690.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H68 B2 F30 N2 O3 Ti2 |
|---|---|
| Calculated formula | C80 H68 B2 F30 N2 O3 Ti2 |
| SMILES | Fc1c(F)c(c(c(F)c1F)F)[B](O[Ti]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)c1c([NH]5CC)cccc1)O[Ti]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)c1c([NH]5CC)cccc1)O[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(c(c(c(c1F)F)F)F)F)(c1c(F)c(F)c(F)c(F)c1F)c1c(c(c(c(c1F)F)F)F)F.C(CC)CC.C(CC)CC |
| Title of publication | CO2-Mediatedortho-Lithiation ofN-Alkylanilines and Its Use for the Construction of Polymerization Catalysts |
| Authors of publication | Wu, Chun Ji; Lee, Sang Hoon; Yu, Seung Tack; Na, Sung Jae; Yun, Hoseop; Lee, Bun Yeoul |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 15 |
| Pages of publication | 3907 |
| a | 27.093 Å |
| b | 11.969 Å |
| c | 24.561 Å |
| α | 90° |
| β | 101.1° |
| γ | 90° |
| Cell volume | 7815.55 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0597 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.1266 |
| Weighted residual factors for all reflections included in the refinement | 0.139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178605 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/16. |
4071690.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071690.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071690.cif |
| 43984 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071690 via cif-deposit CGI script. |
4071690.cif |
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Users of the data should acknowledge the original authors of the
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