Crystallography Open Database

Information card for entry 4134610

Preview

Coordinates	4134610.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	PFC-12
Formula	C24 H15 N3 O6
Calculated formula	C24 H15 N3 O6
Title of publication	Record Complexity in the Polycatenation of Three Porous Hydrogen-bonded Organic Frameworks with Stepwise Adsorption Behaviors.
Authors of publication	Li, Yu-Lin; Alexandrov, Eugeny V.; Yin, Qi; Li, Lan; Fang, Zhi-Bin; Yuan, Wenbing; Proserpio, Davide M.; Liu, Tian-Fu
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	30.91 Å
b	27.384 Å
c	20.633 Å
α	90°
β	90°
γ	90°
Cell volume	17464.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	272.99 K
Number of distinct elements	4
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.1778
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.2219
Weighted residual factors for all reflections included in the refinement	0.3022
Goodness-of-fit parameter for all reflections included in the refinement	0.923
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4134610.html