Crystallography Open Database

Information card for entry 7107372

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Coordinates	7107372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85.5 H116 N6 O24
Calculated formula	C85.5 H116 N6 O24
Title of publication	Le Aromatic Oligoamide Macrocycles with Drastically Changed Behavior
Authors of publication	Xiangxiang Wu; Guoxing Liang; Gang Ji; Hoong-Kun Fun; Lan He; Bing Gong
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	2228
a	31.4547 ± 0.001 Å
b	25.7172 ± 0.0007 Å
c	26.8169 ± 0.0009 Å
α	90°
β	120.999 ± 0.002°
γ	90°
Cell volume	18594.6 ± 1.1 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1824
Residual factor for significantly intense reflections	0.1536
Weighted residual factors for significantly intense reflections	0.4448
Weighted residual factors for all reflections included in the refinement	0.4703
Goodness-of-fit parameter for all reflections included in the refinement	1.968
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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