Crystallography Open Database

Information card for entry 1570512

Preview

Coordinates	1570512.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	M1_CB[8]
Chemical name	M1_CB[8]
Formula	C160 H150 I4 N68 O32
Calculated formula	C160 H150 I3.999 N68 O32
Title of publication	Cucurbituril-based supramolecular host-guest complexes: single-crystal structures and dual-state fluorescence enhancement.
Authors of publication	Wang, Hui; Liu, Hui; Wang, Mingsen; Hou, Jiaheng; Li, Yongjun; Wang, Yuancheng; Zhao, Yingjie
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	2
Pages of publication	458 - 465
a	18.6227 ± 0.0004 Å
b	18.6227 ± 0.0004 Å
c	90.614 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	31425.4 ± 1.4 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	5
Space group number	112
Hermann-Mauguin space group symbol	P -4 2 c
Hall space group symbol	P -4 2c
Residual factor for all reflections	0.1406
Residual factor for significantly intense reflections	0.088
Weighted residual factors for significantly intense reflections	0.2464
Weighted residual factors for all reflections included in the refinement	0.2812
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289418 (current)	2024-02-04	cif/ Updating files of 1570510, 1570511, 1570512 Original log message: Adding full bibliography for 1570510--1570512.cif.	1570512.cif
288055	2023-12-06	cif/ Adding structures of 1570510, 1570511, 1570512 via cif-deposit CGI script.	1570512.cif