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Information card for entry 4078742
Preview
| Coordinates | 4078742.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H26 Fe2 O2 |
|---|---|
| Calculated formula | C26 H26 Fe2 O2 |
| SMILES | [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[C@](CC[c]15[cH]6[cH]7[cH]8[cH]91)([C@@]1([c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([cH]%10[cH]9[cH]8[cH]72)CC1)O)O.[Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[C@@](CC[c]15[cH]6[cH]7[cH]8[cH]91)([C@]1([c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([cH]%10[cH]9[cH]8[cH]72)CC1)O)O |
| Title of publication | Synthesis and Antiproliferative Effects of [3]Ferrocenophane Transposition Products and Pinacols Obtained from McMurry Cross-Coupling Reactions |
| Authors of publication | Görmen, Meral; Pigeon, Pascal; Hillard, Elizabeth A.; Vessières, Anne; Huché, Michel; Richard, Marie-Aude; McGlinchey, Michael J.; Top, Siden; Jaouen, Gérard |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 16 |
| Pages of publication | 5856 |
| a | 8.1136 ± 0.0006 Å |
| b | 19.4485 ± 0.0013 Å |
| c | 12.648 ± 0.001 Å |
| α | 90° |
| β | 104.028 ± 0.007° |
| γ | 90° |
| Cell volume | 1936.3 ± 0.3 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| 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 | 0.0468 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for all reflections | 0.0742 |
| Weighted residual factors for significantly intense reflections | 0.0669 |
| Weighted residual factors for all reflections included in the refinement | 0.0742 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9207 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178676 (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 4/07/87. |
4078742.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078742.cif |
| 66382 | 2012-09-09 | cif/ Adding structures of 4078740, 4078741, 4078742 via cif-deposit CGI script. |
4078742.cif |
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Users of the data should acknowledge the original authors of the
structural data.