Crystallography Open Database

Information card for entry 7235902

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Coordinates	7235902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H119 N3 O23.7
Calculated formula	C97 H119 N3 O23.704
Title of publication	Aromatic N-oxide templates open inclusion and dimeric capsular assemblies with methylresorcinarene
Authors of publication	Beyeh, Ngong Kodiah; Puttreddy, Rakesh; Rissanen, Kari
Journal of publication	RSC Advances
Year of publication	2015
Journal volume	5
Journal issue	38
Pages of publication	30222
a	12.49 ± 0.0009 Å
b	12.5364 ± 0.001 Å
c	16.5875 ± 0.0013 Å
α	72.841 ± 0.007°
β	74.133 ± 0.007°
γ	65.716 ± 0.007°
Cell volume	2227.3 ± 0.3 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0902
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1564
Weighted residual factors for all reflections included in the refinement	0.1775
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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