Crystallography Open Database

Information card for entry 7230210

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Coordinates	7230210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H59.33 O12.67
Calculated formula	C41 H56 O12.6667
Title of publication	A propanol-seamed C-methylcalix[4]resorcinarene hexamer accessible via solution crystallization, liquid-assisted grinding and vapour sorption
Authors of publication	Payne, Richard M.; Oliver, Clive L.
Journal of publication	CrystEngComm
Year of publication	2018
a	33.6175 ± 0.0018 Å
b	33.6175 ± 0.0018 Å
c	20.9185 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	20473 ± 2 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.2085
Residual factor for significantly intense reflections	0.1158
Weighted residual factors for significantly intense reflections	0.3286
Weighted residual factors for all reflections included in the refinement	0.3975
Goodness-of-fit parameter for all reflections included in the refinement	1.165
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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