Crystallography Open Database

Information card for entry 7222168

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Structure parameters

Chemical name	racemic CF4
Formula	C14 H12 F14 N2 O2
Calculated formula	C14 H12 F14 N2 O2
SMILES	FC(F)(C(=O)N[C@H]1[C@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCCC1)C(F)(F)C(F)(F)F.FC(F)(C(=O)N[C@@H]1[C@@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCCC1)C(F)(F)C(F)(F)F
Title of publication	Perfluorinated Gelators for Solidifying Fluorous Solvents：Effects of Chain Length and Molecular Chirality
Authors of publication	Yajima, Tomoko; Tabuchi, Erika; Nogami, Emiko; Yamagishi, Akihiko; Sato, Hisako
Journal of publication	RSC Adv.
Year of publication	2015
a	18.5495 ± 0.0014 Å
b	21.0121 ± 0.0016 Å
c	9.57 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3730 ± 0.5 Å³
Cell temperature	93.15 K
Ambient diffraction temperature	93.15 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1362
Weighted residual factors for all reflections included in the refinement	0.1531
Goodness-of-fit parameter for all reflections included in the refinement	1.0572
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
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.	7222168.cif
156722	2015-09-17	cif/ Adding structures of 7222167, 7222168 via cif-deposit CGI script.	7222168.cif