Crystallography Open Database

Information card for entry 4108593

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Coordinates	4108593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C386 H348 Br6 N18 O22
Calculated formula	C385.982 H287.982 Br5.994 N18 O21.996
Title of publication	A Self-Assembled Organic Capsule Formed from the Union of Six Hexagram-Shaped Amphiphile Molecules
Authors of publication	Shuichi Hiraoka; Koji Harano; Motoo Shiro; Mitsuhiko Shionoya
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	14368 - 14369
a	23.8971 ± 0.0006 Å
b	23.8971 ± 0.0006 Å
c	50.1378 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	24796.3 ± 1.1 Å³
Cell temperature	110.1 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.4376
Goodness-of-fit parameter for all reflections included in the refinement	1.484
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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