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Information card for entry 4071583
Preview
| Coordinates | 4071583.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H34 Fe2 N2 O |
|---|---|
| Calculated formula | C39 H34 Fe2 N2 O |
| SMILES | [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)c1c2C(=O)C(=Cc2c([c]23[cH]4[Fe]9%10%11%12%13%142([cH]4[cH]9[cH]3%10)[cH]2[cH]%11[cH]%12[cH]%13[cH]%142)nn1)C1(CCCCC1)c1ccccc1)[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 | 11.231 ± 0.008 Å |
| b | 12.606 ± 0.009 Å |
| c | 12.79 ± 0.009 Å |
| α | 114.55 ± 0.012° |
| β | 97.629 ± 0.012° |
| γ | 108.532 ± 0.012° |
| Cell volume | 1486.2 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1969 |
| Residual factor for significantly intense reflections | 0.0833 |
| Weighted residual factors for significantly intense reflections | 0.1408 |
| Weighted residual factors for all reflections included in the refinement | 0.1753 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.837 |
| 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. |
4071583.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071583.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071583.cif |
| 43924 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071583 via cif-deposit CGI script. |
4071583.cif |
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Users of the data should acknowledge the original authors of the
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