Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4084609
Preview
Coordinates | 4084609.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H37 Fe2 O4 P |
---|---|
Calculated formula | C30 H37 Fe2 O4 P |
SMILES | [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)OP(=O)(O[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C |
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 | 14.1041 ± 0.0013 Å |
b | 5.8359 ± 0.0005 Å |
c | 16.704 ± 0.002 Å |
α | 90° |
β | 92.648 ± 0.009° |
γ | 90° |
Cell volume | 1373.4 ± 0.2 Å3 |
Cell temperature | 110.2 ± 0.6 K |
Ambient diffraction temperature | 110.2 ± 0.6 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1476 |
Residual factor for significantly intense reflections | 0.0908 |
Weighted residual factors for significantly intense reflections | 0.1454 |
Weighted residual factors for all reflections included in the refinement | 0.179 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.907 |
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/4084609.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.