Crystallography Open Database

Information card for entry 7133911

Preview

Coordinates	7133911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C244 H322 Cl4 O42
Calculated formula	C244 H322 Cl4 O42
Title of publication	Charge-transfer host–guest complexes based on pillar[n]arenes and quinonoid compounds for near-infrared photothermal conversion
Authors of publication	Wang, Aopu; Zhao, Xueru; Zhang, Hui; Ding, Yanjun; Xue, Min; Shao, Li
Journal of publication	Chemical Communications
Year of publication	2024
a	46.908 ± 0.004 Å
b	15.5822 ± 0.0016 Å
c	16.4942 ± 0.0014 Å
α	90°
β	94.71 ± 0.007°
γ	90°
Cell volume	12015.4 ± 1.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.223
Residual factor for significantly intense reflections	0.1476
Weighted residual factors for significantly intense reflections	0.3423
Weighted residual factors for all reflections included in the refinement	0.3952
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7133911.html