Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7108566
Preview
Coordinates | 7108566.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H24 N4 O4 |
---|---|
Calculated formula | C22 H24 N4 O4 |
SMILES | O=C(Nc1c(cccc1)C(=O)Nc1c(cccc1)C(=O)N1[C@@H](CCC1)C(=O)NC)C |
Title of publication | Multifaceted folding in a foldamer featuring highly cooperative folds |
Authors of publication | Veera V. E. Ramesh; Gowri Priya; Amol S. Kotmale; Rajesh G. Gonnade; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 11205 |
a | 10.4632 ± 0.0017 Å |
b | 11.4185 ± 0.0019 Å |
c | 16.753 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2001.5 ± 0.6 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0354 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.0793 |
Weighted residual factors for all reflections included in the refinement | 0.08 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
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/7108566.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.