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Information card for entry 4108563
Preview
Coordinates | 4108563.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H46 Cl N4 O P |
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Calculated formula | C36 H44 Cl N4 O P |
SMILES | [C@@H]1(C(c2ccccc2)(c2ccccc2)N[P+]2(N1C)N([C@H](C(c1ccccc1)(c1ccccc1)N2)C(C)C)C)C(C)C.[Cl-].O |
Title of publication | Chiral Tetraaminophosphonium Carboxylate-Catalyzed Direct Mannich-Type Reaction |
Authors of publication | Daisuke Uraguchi; Yusuke Ueki; Takashi Ooi |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 14088 - 14089 |
a | 13.813 ± 0.004 Å |
b | 15.029 ± 0.005 Å |
c | 15.943 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3309.7 ± 1.8 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0772 |
Residual factor for significantly intense reflections | 0.0615 |
Weighted residual factors for significantly intense reflections | 0.1293 |
Weighted residual factors for all reflections included in the refinement | 0.137 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4108563.html
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