Crystallography Open Database

Information card for entry 1571763

Preview

Coordinates	1571763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C204 H162 F36 N6 Sb6
Calculated formula	C204 H162 F36 N6 Sb6
Title of publication	Facile synthesis and characterization of aza-bridged all-benzenoid quinoidal figure-eight and cage molecules.
Authors of publication	Dong, Shaoqiang; Han, Yi; Tong, Zekun; Wang, Jinfeng; Zhang, Yishan; Li, Aisen; Gopalakrishna, Tullimilli Y.; Tian, Hongkun; Chi, Chunyan
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	24
Pages of publication	9087 - 9095
a	24.0699 ± 0.0007 Å
b	24.0699 ± 0.0007 Å
c	29.1508 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	14626.1 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	190
Hermann-Mauguin space group symbol	P -6 2 c
Hall space group symbol	P -6c -2c
Residual factor for all reflections	0.1959
Residual factor for significantly intense reflections	0.1543
Weighted residual factors for significantly intense reflections	0.3581
Weighted residual factors for all reflections included in the refinement	0.3977
Goodness-of-fit parameter for all reflections included in the refinement	2.191
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292858 (current)	2024-07-05	cif/ Updating files of 1571762, 1571763 Original log message: Adding full bibliography for 1571762--1571763.cif.	1571763.cif
292140	2024-06-01	cif/ Adding structures of 1571762, 1571763 via cif-deposit CGI script.	1571763.cif