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Information card for entry 4024279
Preview
| Coordinates | 4024279.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H40 Cl2 Rh2 |
|---|---|
| Calculated formula | C42 H40 Cl2 Rh2 |
| SMILES | [Rh]1234([Cl][Rh]567([Cl]1)[C]1(=[CH]6[C@H]6C[C@H]([CH]7=[C]5(c5ccccc5)C6)C1)c1ccccc1)[C]1(C[C@H]5[CH]3=[C]2(C[C@@H]([CH]4=1)C5)c1ccccc1)c1ccccc1 |
| Title of publication | Tuning the Chiral Environment ofC2-Symmetric Diene Ligands: Development of 3,7-Disubstituted Bicyclo[3.3.1]nona-2,6-dienes |
| Authors of publication | Ryo Shintani; Yoshitaka Ichikawa; Keishi Takatsu; Fu-Xue Chen; Tamio Hayashi |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2009 |
| Journal volume | 74 |
| Pages of publication | 869 - 873 |
| a | 12.314 ± 0.004 Å |
| b | 15.29 ± 0.004 Å |
| c | 18.582 ± 0.006 Å |
| α | 90° |
| β | 103.989 ± 0.013° |
| γ | 90° |
| Cell volume | 3395 ± 1.6 Å3 |
| Cell temperature | 123.1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0228 |
| Weighted residual factors for all reflections included in the refinement | 0.0285 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71075 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. |
4024279.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4024279.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4024279.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4024279.cif |
| 948 | 2010-01-19 | cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition. |
4024279.cif |
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