Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4023693
Preview
Coordinates | 4023693.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H18 Fe O9 |
---|---|
Calculated formula | C20 H18 Fe O9 |
SMILES | [Fe]123(C[CH]1=[CH]2[C@@H](c1cc(c(cc1)C(=O)OC)C(=O)OC)[C@@H]3C(=O)OC)(C#[O])(C#[O])C#[O].[Fe]123(C[CH]1=[CH]2[C@H](c1cc(c(cc1)C(=O)OC)C(=O)OC)[C@H]3C(=O)OC)(C#[O])(C#[O])C#[O] |
Title of publication | Reactivity of (2-Alkenyl-3-pentene-1,5-diyl)iron Complexes: Preparation of Functionalized Vinylcyclopropanes and Cycloheptadienes |
Authors of publication | Rajesh K. Pandey; Lizhu Wang; Nathaniel J. Wallock; Sergey Lindeman; William A. Donaldson |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2008 |
Journal volume | 73 |
Pages of publication | 7236 - 7245 |
a | 7.9471 ± 0.0007 Å |
b | 10.6535 ± 0.001 Å |
c | 12.4175 ± 0.0011 Å |
α | 94.937 ± 0.004° |
β | 98.119 ± 0.004° |
γ | 102.276 ± 0.004° |
Cell volume | 1009.64 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0596 |
Residual factor for significantly intense reflections | 0.046 |
Weighted residual factors for significantly intense reflections | 0.1106 |
Weighted residual factors for all reflections included in the refinement | 0.1165 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4023693.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.