Crystallography Open Database

Information card for entry 7061152

Preview

Coordinates	7061152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H7 N3 O4
Calculated formula	C5 H7 N3 O4
Title of publication	Oxidation of o-dioxime by (diacetoxyiodo)benzene: green and mild access to furoxans
Authors of publication	Zhang, Qi; Zhao, Cheng; Zhang, Xun; He, Chunlin; Pang, Siping
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	4
Pages of publication	1489 - 1493
a	4.8238 ± 0.0006 Å
b	7.3029 ± 0.0009 Å
c	11.0533 ± 0.0014 Å
α	76.643 ± 0.004°
β	78.988 ± 0.004°
γ	87.455 ± 0.004°
Cell volume	371.87 ± 0.08 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1234
Residual factor for significantly intense reflections	0.0816
Weighted residual factors for significantly intense reflections	0.2498
Weighted residual factors for all reflections included in the refinement	0.3011
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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