Crystallography Open Database

Information card for entry 4134611

Preview

Coordinates	4134611.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	PFC-13
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	26.4904 ± 0.001 Å
b	41.3829 ± 0.0015 Å
c	30.8788 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	33851 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1345
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.2187
Weighted residual factors for all reflections included in the refinement	0.2622
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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