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Information card for entry 4027363
Preview
| Coordinates | 4027363.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H19 Fe I2 N |
|---|---|
| Calculated formula | C19 H19 Fe I2 N |
| SMILES | I[c]12[Fe]3456789([cH]1[cH]3[cH]4[c]25[C@H](N(C)C)c1ccccc1I)[cH]1[cH]6[cH]7[cH]8[cH]91 |
| Title of publication | Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene |
| Authors of publication | Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2012 |
| Journal volume | 77 |
| Pages of publication | 6638 - 6642 |
| a | 23.305 ± 0.018 Å |
| b | 7.753 ± 0.011 Å |
| c | 10.364 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1873 ± 3 Å3 |
| Cell temperature | 123.1 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for all reflections included in the refinement | 0.0472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4027363.cif |
| 81445 | 2013-04-15 | cif/ Adding structures of 4027363 via cif-deposit CGI script. |
4027363.cif |
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Users of the data should acknowledge the original authors of the
structural data.