Crystallography Open Database

Information card for entry 1571791

Preview

Coordinates	1571791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H44 Cl17.98 O2 Sb2
Calculated formula	C64 H44 Cl17.98 O2 Sb2
Title of publication	Helical polycyclic hydrocarbons with open-shell singlet ground states and ambipolar redox behaviors.
Authors of publication	Jiang, Qing; Tang, Hui; Peng, Yuchen; Hu, Zhenni; Zeng, Wangdong
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	27
Pages of publication	10519 - 10528
a	22.6813 ± 0.0011 Å
b	16.1611 ± 0.0011 Å
c	19.3896 ± 0.0012 Å
α	90°
β	108.576 ± 0.004°
γ	90°
Cell volume	6737.1 ± 0.7 Å³
Cell temperature	106 K
Ambient diffraction temperature	106 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293762 (current)	2024-08-05	cif/ Updating files of 1571789, 1571790, 1571791, 1571792 Original log message: Adding full bibliography for 1571789--1571792.cif.	1571791.cif
292237	2024-06-07	cif/ Adding structures of 1571789, 1571790, 1571791, 1571792 via cif-deposit CGI script.	1571791.cif