Crystallography Open Database

Information card for entry 4029007

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Coordinates	4029007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 Cl2 N12 O4
Calculated formula	C34 H30 Cl2 N12 O4
Title of publication	A Copper-Catalyzed Domino Route toward Purine-Fused Tricyclic Derivatives.
Authors of publication	Xie, Ming-Sheng; Chu, Zhi-Liang; Niu, Hong-Ying; Qu, Gui-Rong; Guo, Hai-Ming
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	3
Pages of publication	1093
a	43.61 ± 0.008 Å
b	6.0586 ± 0.0011 Å
c	33.754 ± 0.006 Å
α	90°
β	128.889 ± 0.002°
γ	90°
Cell volume	6942 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.1337
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1253
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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