Crystallography Open Database

Information card for entry 7223658

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Coordinates	7223658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C152 H216 O44 S20
Calculated formula	C152 H216 O44 S20
Title of publication	Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes
Authors of publication	Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	2
Pages of publication	222
a	10.6715 ± 0.0003 Å
b	16.8763 ± 0.0005 Å
c	24.6079 ± 0.0007 Å
α	97.9 ± 0.001°
β	102.264 ± 0.001°
γ	99.408 ± 0.001°
Cell volume	4203.7 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.1385
Residual factor for significantly intense reflections	0.1296
Weighted residual factors for significantly intense reflections	0.2455
Weighted residual factors for all reflections included in the refinement	0.2491
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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