Crystallography Open Database

Information card for entry 7151006

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Coordinates	7151006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H16 N5 O2.33
Calculated formula	C21 H16 N5 O2.33333
Title of publication	A convenient three-component reaction leading to the synthesis of polysubstituted cyclohexene derivatives
Authors of publication	Guan, Xiao-Yang; Shi, Min
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2008
Journal volume	6
Journal issue	19
Pages of publication	3616 - 3620
a	23.2536 ± 0.001 Å
b	23.2536 ± 0.001 Å
c	17.77 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	8321.4 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0744
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.133
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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