Crystallography Open Database

Information card for entry 1503531

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Structure parameters

Formula	C30 H44 F6 N O9 P
Calculated formula	C30 H44 F6 N O9 P
SMILES	[P](F)(F)(F)(F)(F)[F-].[NH2+](CCCC)Cc1ccc(cc1)OC(=O)c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2
Title of publication	A benzo-21-crown-7/secondary ammonium salt [c2]daisy chain.
Authors of publication	Zheng, Bo; Zhang, Mingming; Dong, Shengyi; Liu, Jiyong; Huang, Feihe
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	1
Pages of publication	306 - 309
a	7.9713 ± 0.0004 Å
b	11.856 ± 0.0008 Å
c	19.9106 ± 0.0013 Å
α	89.124 ± 0.005°
β	87.531 ± 0.004°
γ	86.362 ± 0.005°
Cell volume	1876 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0738
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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