Crystallography Open Database

Information card for entry 1570511

Preview

Coordinates	1570511.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	M1_CB[7]
Chemical name	M1_CB[7]
Formula	C148 H142 I4 N60 O28
Calculated formula	C148 H142 I4 N60 O28
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	13.107 ± 0.0007 Å
b	17.0258 ± 0.001 Å
c	25.9476 ± 0.0013 Å
α	75.072 ± 0.005°
β	85.004 ± 0.004°
γ	77.546 ± 0.005°
Cell volume	5460.3 ± 0.5 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2256
Residual factor for significantly intense reflections	0.1841
Weighted residual factors for significantly intense reflections	0.3377
Weighted residual factors for all reflections included in the refinement	0.3531
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
289418 (current)	2024-02-04	cif/ Updating files of 1570510, 1570511, 1570512 Original log message: Adding full bibliography for 1570510--1570512.cif.	1570511.cif
288055	2023-12-06	cif/ Adding structures of 1570510, 1570511, 1570512 via cif-deposit CGI script.	1570511.cif