Crystallography Open Database

Information card for entry 4022905

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Coordinates	4022905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H60 Cl6 O6
Calculated formula	C60 H60 Cl6 O6
Title of publication	Facile Synthesis of Janus "Double-Concave" Tribenzo[a,g,m]coronenes
Authors of publication	Zhongtao Li; Nigel T. Lucas; Zhaohui Wang; Daoben Zhu
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	3917 - 3920
a	13.2555 ± 0.0016 Å
b	12.7977 ± 0.0015 Å
c	30.54 ± 0.004 Å
α	90°
β	93.444 ± 0.001°
γ	90°
Cell volume	5171.4 ± 1.1 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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