Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7102819
Preview
Coordinates | 7102819.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Amidoisocytosine |
---|---|
Formula | C51 H50 Cl6 N12 O8 |
Calculated formula | C51 H50 Cl6 N12 O8 |
Title of publication | Conformer independent heterodimerisation of linear arrays using three hydrogen bonds |
Authors of publication | McGhee, Andrea M.; Kilner, Colin; Wilson, Andrew J. |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2008 |
Journal issue | 3 |
Pages of publication | 344 - 346 |
a | 10.5748 ± 0.0002 Å |
b | 11.2109 ± 0.0002 Å |
c | 11.8373 ± 0.0003 Å |
α | 101.737 ± 0.0008° |
β | 100.6 ± 0.0008° |
γ | 96.114 ± 0.0013° |
Cell volume | 1335.37 ± 0.05 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.1071 |
Residual factor for significantly intense reflections | 0.0799 |
Weighted residual factors for significantly intense reflections | 0.2069 |
Weighted residual factors for all reflections included in the refinement | 0.2314 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7102819.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.