Crystallography Open Database

Information card for entry 4024111

Preview

Coordinates	4024111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H36 O8
Calculated formula	C32 H35 O8
Title of publication	C~3v~-Symmetrical Tribenzotriquinacenes Extended by Six C~1~-Functional Groups and the First Triquinacene-Based Tris(dithiametacyclophanes)
Authors of publication	Ling Zhou; Tao-Xiang Zhang; Bing-Rui Li; Xiao-Ping Cao; Dietmar Kuck
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	6382 - 6389
a	10.1378 ± 0.0004 Å
b	11.5653 ± 0.0004 Å
c	12.6616 ± 0.0005 Å
α	75.685 ± 0.002°
β	79.458 ± 0.002°
γ	68.905 ± 0.002°
Cell volume	1334.77 ± 0.09 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0851
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1736
Weighted residual factors for all reflections included in the refinement	0.1952
Goodness-of-fit parameter for all reflections included in the refinement	1.212
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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