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Information card for entry 1503354
Preview
| Coordinates | 1503354.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H58 N4 O2 P2 |
|---|---|
| Calculated formula | C44 H58 N4 O2 P2 |
| SMILES | [P@](=O)(N(C(C)C)C(C)C)(c1c(cccc1)/C=N/[C@@H]1CCCC[C@H]1/N=C/c1c([P@](=O)(N(C(C)C)C(C)C)c2ccccc2)cccc1)c1ccccc1 |
| Title of publication | Enantioselective desymmetrization of diphenylphosphinamides via (-)-sparteine-mediated ortho-lithiation. Synthesis of P-chiral ligands. |
| Authors of publication | Popovici, Cristinel; Oña-Burgos, Pascual; Fernández, Ignacio; Roces, Laura; García-Granda, Santiago; Iglesias, María José; López Ortiz, Fernando |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 3 |
| Pages of publication | 428 - 431 |
| a | 8.4417 ± 0.0001 Å |
| b | 16.4362 ± 0.0002 Å |
| c | 16.0375 ± 0.0002 Å |
| α | 90° |
| β | 103.244 ± 0.001° |
| γ | 90° |
| Cell volume | 2166.01 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0445 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0967 |
| Weighted residual factors for all reflections included in the refinement | 0.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1503354.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503354.cif |
| 37229 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503354 via cif-deposit CGI script. |
1503354.cif |
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Users of the data should acknowledge the original authors of the
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