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Information card for entry 4104471
Preview
Coordinates | 4104471.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H54 Cl N4 O3 P |
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Calculated formula | C58 H54 Cl N4 O3 P |
SMILES | [Cl-].c12c(cc3ccccc3c1c1c(c(cc3ccccc13)c1ccccc1)N[P+]1(N2)Nc2ccc3ccccc3c2c2c(ccc3ccccc23)N1)c1ccccc1.C(C)O.C(C)O.C(C)O |
Title of publication | Chiral Arylaminophosphonium Barfates as a New Class of Charged Brønsted Acid for the Enantioselective Activation of Nonionic Lewis Bases |
Authors of publication | Daisuke Uraguchi; Daisuke Nakashima; Takashi Ooi |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 7242 - 7243 |
a | 11.322 ± 0.002 Å |
b | 19.295 ± 0.003 Å |
c | 11.91 ± 0.002 Å |
α | 90° |
β | 111.634 ± 0.004° |
γ | 90° |
Cell volume | 2418.6 ± 0.7 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0482 |
Residual factor for significantly intense reflections | 0.0443 |
Weighted residual factors for significantly intense reflections | 0.1118 |
Weighted residual factors for all reflections included in the refinement | 0.1151 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/4104471.html
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Users of the data should acknowledge the original authors of the
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