Crystallography Open Database

Information card for entry 4501440

Preview

Coordinates	4501440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 Cl N2
Calculated formula	C18 H15 Cl N2
SMILES	Clc1ccc(C2(Nc3c(n4cccc24)cccc3)C)cc1
Title of publication	Synthesis of Pyrrolo[1,2-a]quinoxalines via gold(I)-mediated cascade reactions.
Authors of publication	Liu, Guannan; Zhou, Yu; Lin, Daizong; Wang, Jinfang; Zhang, Lei; Jiang, Hualiang; Liu, Hong
Journal of publication	ACS combinatorial science
Year of publication	2011
Journal volume	13
Journal issue	3
Pages of publication	209 - 213
a	17.5878 ± 0.0016 Å
b	10.5568 ± 0.001 Å
c	16.1787 ± 0.0015 Å
α	90°
β	97.404 ± 0.002°
γ	90°
Cell volume	2978.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1225
Weighted residual factors for all reflections included in the refinement	0.1292
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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