Crystallography Open Database

Information card for entry 7156343

Preview

Coordinates	7156343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 Br N3 O4
Calculated formula	C24 H20 Br N3 O4
Title of publication	Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.
Authors of publication	Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	32
Pages of publication	5816 - 5822
a	9.0719 ± 0.0004 Å
b	11.2308 ± 0.0004 Å
c	11.5065 ± 0.0004 Å
α	80.422 ± 0.001°
β	76.363 ± 0.001°
γ	70.848 ± 0.001°
Cell volume	1071.15 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0633
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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