Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1561447
Preview
Coordinates | 1561447.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1,4-bis(4,9-Dihydro-o-benzeno-2H-naphtho-[2,3-d][1,2,3]triazolo)benzene |
---|---|
Formula | C43 H36 N6 |
Calculated formula | C43 H36 N6 |
Title of publication | Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions |
Authors of publication | Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan |
Journal of publication | Chemical Science |
Year of publication | 2021 |
a | 6.326 ± 0.0013 Å |
b | 15.778 ± 0.003 Å |
c | 16.684 ± 0.003 Å |
α | 81.36 ± 0.03° |
β | 89.31 ± 0.03° |
γ | 88.89 ± 0.03° |
Cell volume | 1646 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1359 |
Residual factor for significantly intense reflections | 0.1136 |
Weighted residual factors for significantly intense reflections | 0.2996 |
Weighted residual factors for all reflections included in the refinement | 0.3197 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.218 |
Diffraction radiation wavelength | 0.7 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
263538 (current) | 2021-04-02 | cif/ Adding structures of 1561445, 1561446, 1561447, 1561448, 1561449, 1561450, 1561451, 1561452 via cif-deposit CGI script. |
1561447.cif |
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.