Crystallography Open Database

Information card for entry 1547261

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Coordinates	1547261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 Cl N2 O2
Calculated formula	C20 H23 Cl N2 O2
SMILES	Clc1c(CNC(=O)C(NC(=O)Cc2ccccc2)C(C)C)cccc1
Title of publication	Synthesis, crystal structure and larvicidal activity of novel diamide derivatives against Culex pipiens
Authors of publication	Rui Wu; Cong Zhu; Xiu-Jiang Du; Li-Xia Xiong; Shu-Jing Yu; Xing-Hai Liu; Zheng-Ming Li; Wei-Guang Zhao
Journal of publication	Chemistry Central Journal
Year of publication	2012
Journal volume	6
Pages of publication	99
a	9.4583 ± 0.0019 Å
b	10.494 ± 0.002 Å
c	11.545 ± 0.002 Å
α	70.49 ± 0.03°
β	73.27 ± 0.03°
γ	64 ± 0.03°
Cell volume	957.2 ± 0.4 Å³
Ambient diffraction temperature	293 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	0.1115
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1174
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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