Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1506766
Preview
Coordinates | 1506766.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H40 Fe2 N2 O4 |
---|---|
Calculated formula | C34 H40 Fe2 N2 O4 |
SMILES | [Fe]12345678([c]9([c]4([cH]3[cH]2[cH]19)C1=N[C@H](CO1)C(C)C)[C@H](O)[C@@H](O)[c]12[c]3([Fe]49%10%11%12%131([cH]3[cH]4[cH]29)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)C1=N[C@@H](C(C)C)CO1)[cH]1[cH]5[cH]6[cH]7[cH]81 |
Title of publication | Stereoselective pinacol coupling of chiral formylferrocene using divalent samarium triflate: preparation of a new chiral bisferrocenyl oxazoline ligand and its application to asymmetric Diels-Alder reactions. |
Authors of publication | Fukuzawa, Shin-ichi; Yahara, Yuusuke; Kamiyama, Akira; Hara, Masumi; Kikuchi, Satoshi |
Journal of publication | Organic letters |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 26 |
Pages of publication | 5809 - 5812 |
a | 9.686 ± 0.004 Å |
b | 23.733 ± 0.009 Å |
c | 25.31 ± 0.009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5818 ± 4 Å3 |
Cell temperature | 123.1 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for significantly intense reflections | 0.053 |
Weighted residual factors for all reflections included in the refinement | 0.054 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.7107 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/1506766.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.