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Information card for entry 7151520
Preview
| Coordinates | 7151520.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H36 Fe2 N2 |
|---|---|
| Calculated formula | C28 H36 Fe2 N2 |
| SMILES | [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[c]1([cH]8[cH]7[cH]6[c]51[C@H](C)N(C)C)[c]12[cH]3[Fe]4567891([cH]1[cH]4[cH]5[cH]6[cH]71)[c]2([cH]8[cH]39)[C@H](C)N(C)C.[Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[c]1([cH]8[cH]7[cH]6[c]51[C@@H](C)N(C)C)[c]12[cH]3[Fe]4567891([cH]1[cH]4[cH]5[cH]6[cH]71)[c]2([cH]8[cH]39)[C@@H](C)N(C)C |
| Title of publication | Synthesis of planar chiral ferrocenyl 1,3-diamines and 1,3-amino ethers |
| Authors of publication | Anderson, James C.; Blake, Alexander J.; Arnall-Culliford, Jennifer C. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2003 |
| Journal volume | 1 |
| Journal issue | 20 |
| Pages of publication | 3586 |
| a | 10.517 ± 0.004 Å |
| b | 10.678 ± 0.004 Å |
| c | 12.532 ± 0.005 Å |
| α | 104.199 ± 0.004° |
| β | 100.115 ± 0.004° |
| γ | 112.747 ± 0.003° |
| Cell volume | 1199.3 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0353 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0637 |
| Weighted residual factors for all reflections included in the refinement | 0.0694 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180301 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/15. |
7151520.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151520.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151520.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7151520.cif |
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Users of the data should acknowledge the original authors of the
structural data.