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Information card for entry 4321168
Preview
| Coordinates | 4321168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 5b |
|---|---|
| Formula | C41 H46 B2 F8 N2 O P2 Pt |
| Calculated formula | C41 H46 B2 F8 N2 O P2 Pt |
| SMILES | [Pt]12([P@]3([C@H]4[C@H](C[C@@H]3C(=C4C)C)c3[n]1cccc3)c1ccccc1)[P@]1([C@H]3[C@H](C[C@@H]1C(=C3C)C)c1[n]2cccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].CC(=O)C.[Pt]12([P@@]3([C@@H]4[C@@H](C[C@H]3C(=C4C)C)c3[n]1cccc3)c1ccccc1)[P@@]1([C@@H]3[C@@H](C[C@H]1C(=C3C)C)c1[n]2cccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].CC(=O)C |
| Title of publication | Cooperative Diastereoselectivity of Palladium- and Platinum-Promoted Intramolecular [4+2] Diels-Alder Cycloaddition Reactions of 3,4-Dimethyl-1-phenylphosphole |
| Authors of publication | Kent D. Redwine; William L. Wilson; Donald G. Moses; Vincent J. Catalano; John H. Nelson |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 3392 - 3402 |
| a | 10.5377 ± 0.0008 Å |
| b | 12.055 ± 0.002 Å |
| c | 18.4919 ± 0.0017 Å |
| α | 103.653 ± 0.011° |
| β | 97.355 ± 0.007° |
| γ | 109.097 ± 0.011° |
| Cell volume | 2102.5 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0534 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.1026 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179314 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/11. |
4321168.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321168.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321168.cif |
| 18517 | 2011-05-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4321168 via cif-deposit CGI script. |
4321168.cif |
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