Crystallography Open Database

Information card for entry 7218850

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Structure parameters

Formula	C96 H120 F18 N8 O10
Calculated formula	C96 H120 F18 N8 O10
SMILES	C(=O)(C)[O-].c1(c(CNC(=O)c2ccccc2C(F)(F)F)c(c(c(c1CNC(=O)c1ccccc1C(F)(F)F)CNC(=O)c1ccccc1C(F)(F)F)CNC(=O)c1ccccc1C(F)(F)F)CNC(=O)c1ccccc1C(F)(F)F)CNC(=O)c1c(C(F)(F)F)cccc1.[N+](CCCC)(CCCC)(CCCC)CCCC.C(=O)(C)[O-].[N+](CCCC)(CCCC)(CCCC)CCCC
Title of publication	Anion directed conformational diversities of an arene based hexa-amide receptor and recognition of the [F4(H2O)6]4−cluster
Authors of publication	Chakraborty, Sourav; Dutta, Ranjan; Wong, Bryan M.; Ghosh, Pradyut
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	107
Pages of publication	62689
a	13.026 ± 0.003 Å
b	25.015 ± 0.005 Å
c	16.358 ± 0.004 Å
α	90°
β	92.574 ± 0.004°
γ	90°
Cell volume	5325 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0891
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for significantly intense reflections	0.2323
Weighted residual factors for all reflections included in the refinement	0.2382
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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