Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4348415
Preview
Coordinates | 4348415.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H21 N3 O |
---|---|
Calculated formula | C25 H21 N3 O |
SMILES | O=C(/N=C(Nc1c2c(ccc1)cccc2)/NCc1ccccc1)c1ccccc1 |
Title of publication | DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands |
Authors of publication | Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy |
Journal of publication | Inorganic Chemistry Frontiers |
Year of publication | 2015 |
Journal volume | 2 |
Journal issue | 8 |
Pages of publication | 780 |
a | 10.2809 ± 0.0009 Å |
b | 10.3681 ± 0.0009 Å |
c | 10.6801 ± 0.0009 Å |
α | 62.458 ± 0.005° |
β | 79.593 ± 0.005° |
γ | 70.395 ± 0.006° |
Cell volume | 950.45 ± 0.15 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 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 | 0.039 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0911 |
Weighted residual factors for all reflections included in the refinement | 0.0939 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
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/4348415.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.