Crystallography Open Database

Information card for entry 1571040

Preview

Coordinates	1571040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H82 O24
Calculated formula	C116 H82 O24
Title of publication	Reticular synthesis of 8-connected carboxyl hydrogen-bonded organic frameworks for white-light-emission.
Authors of publication	Xi, Xiao-Juan; Li, Yang; Lang, Feifan; Pang, Jiandong; Bu, Xian-He
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	12
Pages of publication	4529 - 4537
a	18.3974 ± 0.0003 Å
b	26.3784 ± 0.0003 Å
c	37.7312 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	18310.7 ± 0.4 Å³
Cell temperature	99.98 ± 0.1 K
Ambient diffraction temperature	99.98 ± 0.1 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1221
Residual factor for significantly intense reflections	0.1085
Weighted residual factors for significantly intense reflections	0.323
Weighted residual factors for all reflections included in the refinement	0.341
Goodness-of-fit parameter for all reflections included in the refinement	1.361
Diffraction radiation probe	x-ray
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
290867 (current)	2024-04-05	cif/ Updating files of 1571039, 1571040 Original log message: Adding full bibliography for 1571039--1571040.cif.	1571040.cif
289870	2024-02-20	cif/ Adding structures of 1571039, 1571040 via cif-deposit CGI script.	1571040.cif