Crystallography Open Database

Information card for entry 7131074

Preview

Coordinates	7131074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H82 Cl2 N8
Calculated formula	C85 H82 Cl2 N8
Title of publication	Chiral emissive porous organic cages.
Authors of publication	Sun, Yu-Ling; Wang, Zhen; Ma, Hui; Zhang, Qing-Pu; Yang, Bin-Bin; Meng, Xianggao; Zhang, Yaohua; Zhang, Chun
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	3
Pages of publication	302 - 305
a	24.8853 ± 0.0002 Å
b	24.8853 ± 0.0002 Å
c	24.8853 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	15410.9 ± 0.2 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	4
Space group number	195
Hermann-Mauguin space group symbol	P 2 3
Hall space group symbol	P 2 2 3
Residual factor for all reflections	0.0817
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.179
Weighted residual factors for all reflections included in the refinement	0.1997
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
283137 (current)	2023-05-05	cif/ Updating files of 7131074, 7131075 Original log message: Adding full bibliography for 7131074--7131075.cif.	7131074.cif
279739	2022-12-07	cif/ Adding structures of 7131074, 7131075 via cif-deposit CGI script.	7131074.cif