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Information card for entry 7119083
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| Coordinates | 7119083.cif |
|---|
| Common name | hg01_48_LT |
|---|---|
| Formula | C18 H14 Fe |
| Calculated formula | C18 H14 Fe |
| SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]23[c]1([cH]6[cH]7[cH]82)ccc1c3cccc1 |
| Title of publication | Mild access to planar-chiral ortho-condensed aromatic ferrocenes via gold(I)-catalyzed cycloisomerization of ortho-alkynylaryl ferrocenes |
| Authors of publication | Antonio Urbano; Gloria Hernandez-Torres; Ana M. del Hoyo; Alicia Martinez-Carrion; M. Carmen Carreno |
| Journal of publication | Chem.Commun. |
| Year of publication | 2016 |
| Journal volume | 52 |
| Pages of publication | 6419 |
| a | 13.4447 ± 0.0004 Å |
| b | 19.4178 ± 0.0011 Å |
| c | 9.8391 ± 0.0006 Å |
| α | 90° |
| β | 91.496 ± 0.001° |
| γ | 90° |
| Cell volume | 2567.8 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0469 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0699 |
| Weighted residual factors for all reflections included in the refinement | 0.0777 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184114 (current) | 2016-07-01 | cif/ Adding structures of 7119083, 7119084 via cif-deposit CGI script. |
7119083.cif |
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Users of the data should acknowledge the original authors of the
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