Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1515161
Preview
Coordinates | 1515161.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H34 N10 O9 |
---|---|
Calculated formula | C40 H34 N10 O9 |
SMILES | COC(=O)c1cccc(n1)NC(=O)c1cccc(n1)NC(=O)c1cccc(n1)NC(=O)c1cccc(n1)NC(=O)c1cccc(n1)NC(=O)OCc1ccccc1.CO |
Title of publication | Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities |
Authors of publication | Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang |
Journal of publication | Chemical Science |
Year of publication | 2012 |
Journal volume | 3 |
Journal issue | 6 |
Pages of publication | 2042 |
a | 10.3551 ± 0.0009 Å |
b | 13.6824 ± 0.0011 Å |
c | 25.595 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3626.4 ± 0.5 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 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 | 0.0815 |
Residual factor for significantly intense reflections | 0.0621 |
Weighted residual factors for significantly intense reflections | 0.1338 |
Weighted residual factors for all reflections included in the refinement | 0.1426 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
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/1515161.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.