Crystallography Open Database

Information card for entry 8105023

Preview

Coordinates	8105023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H24 F6 N3 O P
Calculated formula	C27 H24 F6 N3 O P
SMILES	c1(ccc2c(c(ccc2)OCc2ccccc2)n1)C[n+]1cn(Cc2ccccc2)cc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	The crystal structure of 3-benzyl-1-((8-(benzyloxy)quinolin-2-yl)methyl)-1H-imidazol-3-ium hexafluorophosphate, C27H24N3OF6P
Authors of publication	Jiewei, Luo; Shilu, Zhang; Yiming, Liu; Bo, Zhao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	235
Journal issue	1
Pages of publication	79 - 80
a	18.0589 ± 0.0018 Å
b	12.51 ± 0.0009 Å
c	13.3659 ± 0.0012 Å
α	90°
β	124.522 ± 0.007°
γ	90°
Cell volume	2487.9 ± 0.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	0.967
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274335 (current)	2022-04-05	cif/ Adding structures of 8105023 via cif-deposit CGI script.	8105023.cif