Crystallography Open Database

Information card for entry 1553167

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Coordinates	1553167.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	alkyne-phenyl
Formula	C25 H0 N24 O0.5
Calculated formula	C40 H32 O11
Title of publication	Successive Cu/Pd transmetalation relay catalysis in stereoselective synthesis of tetraarylethenes
Authors of publication	Song, Chuanling; Sun, Yihua; Wang, Jianwu; Chen, Hui; Yao, Jiannian; Tung, Chen-Ho; Xu, Zhenghu
Journal of publication	Organic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	10
Pages of publication	1366
a	10.974 ± 0.009 Å
b	13.036 ± 0.01 Å
c	14.337 ± 0.011 Å
α	68.085 ± 0.014°
β	67.898 ± 0.013°
γ	73.316 ± 0.014°
Cell volume	1737 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1091
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.2036
Weighted residual factors for all reflections included in the refinement	0.2373
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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