Crystallography Open Database

Information card for entry 4126664

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Coordinates	4126664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C210 H222 O6
Calculated formula	C210 H222 O6
Title of publication	A Circularly Arranged Sextuple Triptycene Gear Molecule.
Authors of publication	Ube, Hitoshi; Yamada, Ryo; Ishida, Jun-Ichi; Sato, Hiroyasu; Shiro, Motoo; Shionoya, Mitsuhiko
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
a	32.5048 ± 0.0004 Å
b	32.5048 ± 0.0004 Å
c	13.0046 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	11899.3 ± 0.3 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	3
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.1119
Residual factor for significantly intense reflections	0.1081
Weighted residual factors for significantly intense reflections	0.3436
Weighted residual factors for all reflections included in the refinement	0.3545
Goodness-of-fit parameter for all reflections included in the refinement	1.756
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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