Crystallography Open Database

Information card for entry 7223911

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Structure parameters

Common name	M4_Acetone
Formula	C26 H23 B F4 N2 O3
Calculated formula	C26 H23 B F4 N2 O3
SMILES	[B](F)(F)(F)[F-].c1(c2cc(c(c(c2)OC)OC)OC)n2Cc3ccccc3c2c2c3ccccc3C[n+]12
Title of publication	Fused π-Conjugated Imidazolium Liquid Crystals: Synthesis, Self-Organization, and Fluorescent Properties
Authors of publication	Takagi, Koji; Yamauchi, Koji; Kubota, Seiko; Nagano, Shusaku; Hara, Mitsuo; Seki, Takahiro; Murakami, Kazuya; Ooyama, Yousuke; Ohshita, Joji; Kondo, Masaharu; Masu, Hyuma
Journal of publication	RSC Adv.
Year of publication	2016
a	12.5531 ± 0.0002 Å
b	12.7129 ± 0.0002 Å
c	15.2681 ± 0.0002 Å
α	90°
β	111.566 ± 0.0007°
γ	90°
Cell volume	2266 ± 0.06 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1266
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7223911.cif
174530	2016-01-16	cif/ Adding structures of 7223911 via cif-deposit CGI script.	7223911.cif