Crystallography Open Database

Information card for entry 4037322

Preview

Coordinates	4037322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.5 H14 Cl3 N5 O3
Calculated formula	C22.5 H14 Cl3 N5 O3
Title of publication	DDQ-Mediated Three-Component Dioxygenation of Alkenes.
Authors of publication	Zhang, Tian-Shu; Xiong, Yan-Jie; Hao, Wen-Juan; Zhu, Xiao-Tong; Wang, Shu-Liang; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	19
Pages of publication	9350 - 9355
a	8.091 ± 0.0008 Å
b	12.068 ± 0.0011 Å
c	13.328 ± 0.0012 Å
α	75.317 ± 0.001°
β	73.664 ± 0.001°
γ	80.916 ± 0.002°
Cell volume	1202.79 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2414
Residual factor for significantly intense reflections	0.1095
Weighted residual factors for significantly intense reflections	0.24
Weighted residual factors for all reflections included in the refinement	0.2868
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4037322.html