Crystallography Open Database

Information card for entry 7224402

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Coordinates	7224402.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H60 N4 O12
Calculated formula	C56 H60 N4 O12
Title of publication	Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state
Authors of publication	Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	26
Pages of publication	4971
a	28.1876 ± 0.0012 Å
b	20.8706 ± 0.0007 Å
c	17.9257 ± 0.0007 Å
α	90°
β	106.239 ± 0.005°
γ	90°
Cell volume	10124.8 ± 0.7 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 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	0.094
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1663
Weighted residual factors for all reflections included in the refinement	0.1891
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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