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Information card for entry 4072310
Preview
| Coordinates | 4072310.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H47 O7.5 P2 |
|---|---|
| Calculated formula | C48 H47 O7.5 P2 |
| SMILES | P(=O)(c1c(c2CC(Cc2c(c1C(=O)CP(=O)(c1ccccc1)c1ccccc1)C)(C(=O)OC)C(=O)OC)C)(c1ccccc1)c1ccccc1.O.c1ccccc1C |
| Title of publication | Highly Enantioselective Synthesis of Pseudo-C2-Symmetric Axially Chiral Biaryl Diphosphines via Rhodium-Catalyzed Double [2 + 2 + 2] Cycloaddition |
| Authors of publication | Doherty, Simon; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 19 |
| Pages of publication | 4837 |
| a | 39.18 ± 0.009 Å |
| b | 12.3931 ± 0.0015 Å |
| c | 17.421 ± 0.006 Å |
| α | 90° |
| β | 102.162 ± 0.017° |
| γ | 90° |
| Cell volume | 8269 ± 4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0784 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1324 |
| Weighted residual factors for all reflections included in the refinement | 0.1512 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178612 (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 4/07/23. |
4072310.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072310.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072310.cif |
| 44345 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072309, 4072310 via cif-deposit CGI script. |
4072310.cif |
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Users of the data should acknowledge the original authors of the
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