Crystallography Open Database

Information card for entry 4113552

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Coordinates	4113552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C133 H32 Cl2 N2
Calculated formula	C132.5 H32 Cl2 N2
Title of publication	Synthesis, Structure, and Aromaticity of a Hoop-Shaped Cyclic Benzenoid [10]Cyclophenacene
Authors of publication	Eiichi Nakamura; Kazukuni Tahara; Yutaka Matsuo; Masaya Sawamura
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	2834 - 2835
a	29.7502 ± 0.0004 Å
b	24.2689 ± 0.0007 Å
c	20.0769 ± 0.0007 Å
α	90 ± 0°
β	90 ± 0°
γ	90 ± 0°
Cell volume	14495.6 ± 0.7 Å³
Cell temperature	298 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.036
Goodness-of-fit parameter for significantly intense reflections	3.112
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	xray
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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