Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4084411
Preview
Coordinates | 4084411.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H46 N6 O12 |
---|---|
Calculated formula | C54 H38 N6 O12 |
Title of publication | Depalladation of Neutral Monoalkyne- and Dialkyne-Inserted Palladacycles and Alkyne Insertion/Depalladation Reactions of Cationic Palladacycles Derived fromN,N′,N″-Triarylguanidines as Facile Routes for Guanidine-Containing Heterocycles/Carbocycles: Synthetic, Structural, and Mechanistic Aspects |
Authors of publication | Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 19 |
Pages of publication | 5554 |
a | 7.7151 ± 0.0007 Å |
b | 13.1196 ± 0.0008 Å |
c | 23.578 ± 0.0019 Å |
α | 79.671 ± 0.006° |
β | 81.441 ± 0.007° |
γ | 79.384 ± 0.006° |
Cell volume | 2291.1 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.1123 |
Residual factor for significantly intense reflections | 0.0848 |
Weighted residual factors for significantly intense reflections | 0.1879 |
Weighted residual factors for all reflections included in the refinement | 0.2032 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
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/4084411.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.