Crystallography Open Database

Information card for entry 4118033

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Coordinates	4118033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C142.64 H154.28 B2 F2 K2 N4 O16 S4
Calculated formula	C142.647 H154.291 B2 F2 K2 N4 O16 S4
Title of publication	Polycyclic π-Electron System with Boron at Its Center
Authors of publication	Shohei Saito; Kyohei Matsuo; Shigehiro Yamaguchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	9130 - 9133
a	18.9618 ± 0.0004 Å
b	19.2127 ± 0.0001 Å
c	20.7603 ± 0.0001 Å
α	74.793 ± 0.012°
β	73.353 ± 0.012°
γ	62.6114 ± 0.001°
Cell volume	6357.7 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1783
Residual factor for significantly intense reflections	0.1107
Weighted residual factors for significantly intense reflections	0.2914
Weighted residual factors for all reflections included in the refinement	0.3887
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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