Crystallography Open Database

Information card for entry 7224442

Preview

Coordinates	7224442.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H146 F24 N6 O24 P4 S3
Calculated formula	C120 H146 F24 N6 O24 P4 S3
Title of publication	Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons
Authors of publication	Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	26
Pages of publication	4900
a	15.109 ± 0.003 Å
b	15.144 ± 0.003 Å
c	16.813 ± 0.003 Å
α	79.04 ± 0.03°
β	69.65 ± 0.03°
γ	60.46 ± 0.03°
Cell volume	3137.2 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1569
Residual factor for significantly intense reflections	0.1348
Weighted residual factors for significantly intense reflections	0.3371
Weighted residual factors for all reflections included in the refinement	0.3623
Goodness-of-fit parameter for all reflections included in the refinement	2.13
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
185187 (current)	2016-08-07	cif/ Updating files of 7224439, 7224440, 7224441, 7224442 Original log message: Adding full bibliography for 7224439--7224442.cif.	7224442.cif
177107	2016-03-02	cif/ Adding structures of 7224439, 7224440, 7224441, 7224442 via cif-deposit CGI script.	7224442.cif