Crystallography Open Database

Information card for entry 4112699

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Coordinates	4112699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H94
Calculated formula	C80 H94
Title of publication	Graphitic Molecules with Partial "Zig/Zag" Periphery
Authors of publication	Zhaohui Wang; Željko Tomović; Marcel Kastler; Ramona Pretsch; Fabrizia Negri; Volker Enkelmann; Klaus Müllen
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	7794 - 7795
a	17.2333 ± 0.0006 Å
b	24.8954 ± 0.0008 Å
c	29.6704 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	12729.5 ± 0.7 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	2
Space group number	61
Hermann-Mauguin space group symbol	P c a b
Hall space group symbol	-P 2bc 2ac
Residual factor for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	0.9609
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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