Crystallography Open Database

Information card for entry 8104845

Preview

Coordinates	8104845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H39 Cl N2 O4
Calculated formula	C23 H39 Cl N2 O4
Title of publication	Crystal structure of 1,3-bis(octyl)benzimidazolium perchlorate C23H39ClN2O4
Authors of publication	Liu, Xiao-jing; Li, Zhuang-yu; Liu, E; Jian, Fang-fang; Liang, Tong-ling
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	2
Pages of publication	405 - 407
a	9.0752 ± 0.0019 Å
b	9.542 ± 0.002 Å
c	16.049 ± 0.003 Å
α	99.088 ± 0.004°
β	94.422 ± 0.004°
γ	107.146 ± 0.004°
Cell volume	1300 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 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	0.1429
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1854
Weighted residual factors for all reflections included in the refinement	0.2298
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8104845.html