Crystallography Open Database

Information card for entry 7152941

Preview

Coordinates	7152941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 F4 N4 O7
Calculated formula	C24 H20 F4 N4 O7
SMILES	Fc1c(c(F)c(F)c(c1F)C(=O)[O-])C(=O)[O-].O.O.O.NC(=[NH2+])c1cccc2Cc3cccc(c3Cc12)C(=[NH2+])N
Title of publication	Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.
Authors of publication	Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota
Journal of publication	Organic & biomolecular chemistry
Year of publication	2013
Journal volume	11
Journal issue	22
Pages of publication	3692 - 3698
a	11.4606 ± 0.0007 Å
b	12.5728 ± 0.0012 Å
c	10.4779 ± 0.0008 Å
α	108.785 ± 0.006°
β	102.511 ± 0.006°
γ	63.7 ± 0.006°
Cell volume	1276.53 ± 0.19 Å³
Cell temperature	213.1 K
Ambient diffraction temperature	213 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 significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.1536
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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