Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4081692
Preview
Coordinates | 4081692.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H56 N4 O4 Zn2 |
---|---|
Calculated formula | C34 H56 N4 O4 Zn2 |
SMILES | C(C)(C)(C)O[O]1[Zn]2(N(C3=CC=CC=CC3=[N]2C(C)C)C(C)C)[O](OC(C)(C)C)[Zn]21N(C1=CC=CC=CC1=[N]2C(C)C)C(C)C |
Title of publication | Catalytic Epoxidation of Enones Mediated by Zinc Alkylperoxide/tert-BuOOH Systems |
Authors of publication | Kubisiak, Marcin; Zelga, Karolina; Justyniak, Iwona; Tratkiewicz, Ewa; Pietrzak, Tomasz; Keeri, Abdul R.; Ochal, Zbigniew; Hartenstein, Larissa; Roesky, Peter W.; Lewiński, Janusz |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 19 |
Pages of publication | 5263 |
a | 9.213 ± 0.005 Å |
b | 10.141 ± 0.005 Å |
c | 11.961 ± 0.005 Å |
α | 96.618 ± 0.005° |
β | 109.132 ± 0.005° |
γ | 95.721 ± 0.005° |
Cell volume | 1037.4 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0467 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for significantly intense reflections | 0.088 |
Weighted residual factors for all reflections included in the refinement | 0.0908 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/4081692.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.