Crystallography Open Database

Information card for entry 7125095

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Coordinates	7125095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 N O4
Calculated formula	C20 H26 N O4
Title of publication	Transition-metal-free three-component reaction of cyclopropenes, aldehydes and amines.
Authors of publication	Zhang, Hang; Wang, Bo; Yi, Heng; Sun, Tong; Zhang, Yan; Wang, Jianbo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	90
Pages of publication	13285 - 13287
a	6.1031 ± 0.0006 Å
b	11.4651 ± 0.0012 Å
c	26.396 ± 0.003 Å
α	90°
β	95.114 ± 0.009°
γ	90°
Cell volume	1839.6 ± 0.3 Å³
Cell temperature	180.01 ± 0.1 K
Ambient diffraction temperature	180.01 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1071
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1869
Weighted residual factors for all reflections included in the refinement	0.2242
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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