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Information card for entry 7050769
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7050769.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H32 Fe N O4 P |
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Calculated formula | C30 H32 Fe N O4 P |
SMILES | [Fe]12345678([c]9([c]1([cH]2[cH]3[cH]49)P(=O)(c1ccccc1)c1ccccc1)C(=O)OC[C@@H](NC(=O)C)C(C)C)[cH]1[cH]5[cH]6[cH]7[cH]81 |
Title of publication | Synthesis, characterization and diastereoselective coordination of a planarly chiral, hybrid ferrocene ligand, (Sp)-2-(diphenylphosphino)ferrocenecarboxylic acid |
Authors of publication | Štěpnička, Petr |
Journal of publication | New Journal of Chemistry |
Year of publication | 2002 |
Journal volume | 26 |
Journal issue | 5 |
Pages of publication | 567 |
a | 8.5942 ± 0.0001 Å |
b | 16.0218 ± 0.0003 Å |
c | 19.5448 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2691.21 ± 0.07 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.0425 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0702 |
Weighted residual factors for all reflections included in the refinement | 0.0741 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7050769.html
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Users of the data should acknowledge the original authors of the
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