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Information card for entry 4313093
Preview
Coordinates | 4313093.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H38 Cl N3 O10 P2 Pd |
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Calculated formula | C33 H38 Cl N3 O10 P2 Pd |
SMILES | [Pd]12([P](N[C@H]3[C@H](N[P]1(c1ccccc1)c1ccccc1)CCCC3)(c1ccccc1)c1ccccc1)[NH2][C@H](C(=O)O2)CO.Cl(=O)(=O)(=O)[O-].O.O.O |
Title of publication | 31P NMR Spectroscopy as a Powerful Tool for the Determination of Enantiomeric Excess and Absolute Configurations of α-Amino Acids |
Authors of publication | Judith Bravo; Carlos Cativiela; Julio E. Chaves; Rafael Navarro; Esteban P. Urriolabeitia |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 1006 - 1013 |
a | 9.7196 ± 0.001 Å |
b | 18.642 ± 0.0019 Å |
c | 20.499 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3714.3 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0682 |
Residual factor for significantly intense reflections | 0.0491 |
Weighted residual factors for significantly intense reflections | 0.0754 |
Weighted residual factors for all reflections included in the refinement | 0.0797 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.896 |
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/4313093.html
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