Crystallography Open Database

Information card for entry 4112542

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Coordinates	4112542.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Hexakis(2',3',4',5',6'-pentaphenylbiphenyl-4-yl)benzene
Formula	C272 H202 Cl28
Calculated formula	C264 H174
Title of publication	Synthesis of Polyphenylene Dendrimers Related to "Cubic Graphite"
Authors of publication	Xianfeng Shen; Douglas M. Ho; Robert A. Pascal
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	5798 - 5805
a	48.2928 ± 0.0011 Å
b	48.2928 ± 0.0011 Å
c	11.8656 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	23965 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :H
Hall space group symbol	R 3 -2"
Residual factor for all reflections	0.1545
Residual factor for significantly intense reflections	0.1321
Weighted residual factors for all reflections	0.3751
Weighted residual factors for significantly intense reflections	0.3431
Goodness-of-fit parameter for all reflections	1.033
Goodness-of-fit parameter for significantly intense reflections	1.204
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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