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Information card for entry 4084610
Preview
Coordinates | 4084610.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H31 Fe2 O4 P |
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Calculated formula | C27 H31 Fe2 O4 P |
SMILES | [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)OP(=O)([c]12[c]3([cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)OC)OC1CCCCC1 |
Title of publication | Planar Chirality from the Chiral Pool: Diastereoselective Anionic Phospho-Fries Rearrangements at Ferrocene |
Authors of publication | Korb, Marcus; Lang, Heinrich |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 22 |
Pages of publication | 6643 |
a | 13.9652 ± 0.0007 Å |
b | 8.1909 ± 0.0005 Å |
c | 21.2807 ± 0.0012 Å |
α | 90° |
β | 97.814 ± 0.005° |
γ | 90° |
Cell volume | 2411.6 ± 0.2 Å3 |
Cell temperature | 109.95 ± 0.1 K |
Ambient diffraction temperature | 109.95 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.057 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.0913 |
Weighted residual factors for all reflections included in the refinement | 0.0985 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/4084610.html
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Users of the data should acknowledge the original authors of the
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