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Information card for entry 4071585
Preview
| Coordinates | 4071585.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H44 Fe2 O2 |
|---|---|
| Calculated formula | C51 H44 Fe2 O2 |
| SMILES | [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)c1ccc(C(=O)C2=CC(=C/C2=C(\c2ccc([c]34[Fe]9%10%11%12%13%14%15([cH]3[cH]9[cH]%10[cH]4%11)[cH]3[cH]%12[cH]%13[cH]%14[cH]%153)cc2)O)C2(CCCCC2)c2ccccc2)cc1)[cH]1[cH]8[cH]7[cH]6[cH]51 |
| Title of publication | A New Approach for Ferrocenyl-Cyclopentenone and Ferrocenyl-Cyclopentenedione Compound Synthesis |
| Authors of publication | Li, Jie; Ma, Jian-Ping; Liu, Fengling; Wu, Xiang-Wen; Dong, Yu-Bin; Huang, Ru-Qi |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 21 |
| Pages of publication | 5446 |
| a | 10.14 ± 0.002 Å |
| b | 15.103 ± 0.004 Å |
| c | 15.293 ± 0.004 Å |
| α | 117.633 ± 0.004° |
| β | 91.536 ± 0.005° |
| γ | 108.432 ± 0.004° |
| Cell volume | 1926.1 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1621 |
| Residual factor for significantly intense reflections | 0.0691 |
| Weighted residual factors for significantly intense reflections | 0.1116 |
| Weighted residual factors for all reflections included in the refinement | 0.135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.844 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178604 (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 4/07/15. |
4071585.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071585.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071585.cif |
| 43926 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071585 via cif-deposit CGI script. |
4071585.cif |
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Users of the data should acknowledge the original authors of the
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