Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7052774
Preview
Coordinates | 7052774.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H17 Cl4 N3 O3 |
---|---|
Calculated formula | C25 H17 Cl4 N3 O3 |
SMILES | C1(=O)C(=C(/C(=C(c2ccc(C(=c3ccc(n3)OCCCC)c3c(cccc3Cl)Cl)[nH]2)\C#N)O1)Cl)Cl |
Title of publication | Synthesis of a class of 5-((5-(pyrrol-2-yl-methylene)-pyrrol-2-yl)methylene)furan-2-ones and the formation of a furanone dipyrrin imino ether |
Authors of publication | Shin, Ji-Young; Dolphin, David |
Journal of publication | New Journal of Chemistry |
Year of publication | 2011 |
Journal volume | 35 |
Journal issue | 11 |
Pages of publication | 2483 |
a | 7.5524 ± 0.0004 Å |
b | 12.9084 ± 0.0007 Å |
c | 13.112 ± 0.0007 Å |
α | 102.326 ± 0.002° |
β | 94.333 ± 0.002° |
γ | 98.378 ± 0.002° |
Cell volume | 1227.94 ± 0.11 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0574 |
Residual factor for significantly intense reflections | 0.0409 |
Weighted residual factors for significantly intense reflections | 0.1008 |
Weighted residual factors for all reflections included in the refinement | 0.1179 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
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/7052774.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.