Crystallography Open Database

Information card for entry 1572552

Preview

Coordinates	1572552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106 H124 Cl4 N8 O12
Calculated formula	C106 H124 Cl4 N8 O12
Title of publication	Highly enhanced chiroptical effect from self-inclusion helical nanocrystals of tetraphenylethylene bimacrocycles.
Authors of publication	Hu, Ming; Ye, Feng-Ying; Yu, Wei; Sheng, Kang; Xu, Zhi-Rong; Fu, Jin-Jin; Wen, Xin; Feng, Hai-Tao; Liu, Minghua; Zheng, Yan-Song
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	40
Pages of publication	16627 - 16636
a	30.058 ± 0.0002 Å
b	30.058 ± 0.0002 Å
c	45.2905 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	35437.1 ± 0.4 Å³
Cell temperature	100.02 ± 0.13 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0722
Weighted residual factors for significantly intense reflections	0.2064
Weighted residual factors for all reflections included in the refinement	0.2131
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296430 (current)	2024-12-06	cif/ Updating files of 1572552, 1572553 Original log message: Adding full bibliography for 1572552--1572553.cif.	1572552.cif
294700	2024-09-11	cif/ Adding structures of 1572552, 1572553 via cif-deposit CGI script.	1572552.cif