Crystallography Open Database

Information card for entry 4315484

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Structure parameters

Formula	C24 H22 N4 O4
Calculated formula	C24 H22 N4 O4
SMILES	[nH]1c2nc(ccc2ccc1=C(C(=O)C)C(=O)C)/C=C/c1c(nccc1)N(C(=O)C)C(=O)C
Title of publication	Synthesis, Characterization, Photoinduced Isomerization, and Spectroscopic Properties of Vinyl-1,8-naphthyridine Derivatives and Their Copper(I) Complexes
Authors of publication	Wen-Fu Fu; Lin-Fang Jia; Wei-Hua Mu; Xin Gan; Jia-Bing Zhang; Ping-Hua Liu; Qian-Yong Cao; Gui-Ju Zhang; Li Quan; Xiao-Jun Lv; Quan-Qing Xu
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	4524 - 4533
a	8.1747 ± 0.0009 Å
b	10.9683 ± 0.0016 Å
c	13.163 ± 0.002 Å
α	72.119 ± 0.002°
β	88.134 ± 0.003°
γ	73.414 ± 0.002°
Cell volume	1074.5 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0925
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.115
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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