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Information card for entry 1503354
Preview
Coordinates | 1503354.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H58 N4 O2 P2 |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1503354.html
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