Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4133680
Preview
Coordinates | 4133680.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | P5 |
---|---|
Formula | C30 H34 N12 S |
Calculated formula | C30 H34 N12 S |
Title of publication | Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion. |
Authors of publication | Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 27 |
Pages of publication | 10915 - 10923 |
a | 19.6681 ± 0.0012 Å |
b | 34.306 ± 0.002 Å |
c | 42.246 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 28505 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 70 |
Hermann-Mauguin space group symbol | F d d d :2 |
Hall space group symbol | -F 2uv 2vw |
Residual factor for all reflections | 0.1482 |
Residual factor for significantly intense reflections | 0.1386 |
Weighted residual factors for significantly intense reflections | 0.4079 |
Weighted residual factors for all reflections included in the refinement | 0.4218 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.999 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
243417 (current) | 2019-11-26 | cif/ Adding structures of 4133680 via cif-deposit CGI script. |
4133680.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.