Crystallography Open Database

Information card for entry 7216558

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Coordinates	7216558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H32 O4
Calculated formula	C21 H34 O4
Title of publication	Co-crystalline hydrogen bonded solids formed by helical tubuland diols
Authors of publication	Yue, Weimin; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
Journal of publication	CrystEngComm
Year of publication	2002
Journal volume	4
Journal issue	98
Pages of publication	591
a	10.87 ± 0.004 Å
b	16.939 ± 0.003 Å
c	10.934 ± 0.004 Å
α	90°
β	93.99 ± 0.02°
γ	90°
Cell volume	2008.4 ± 1.1 Å³
Cell temperature	294 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.065
Goodness-of-fit parameter for all reflections included in the refinement	1.86
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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