Crystallography Open Database

Information card for entry 7232801

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Coordinates	7232801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Cl N O4
Calculated formula	C12 H12 Cl N O4
Title of publication	Efficient access to chiral dihydrobenzoxazinones via Rh-catalyzed hydrogenation
Authors of publication	Chen, Ziyi; Yin, Xuguang; Dong, Xiu-Qin; Zhang, Xumu
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	27
Pages of publication	15466
a	5.2919 ± 0.0011 Å
b	28.317 ± 0.006 Å
c	8.7074 ± 0.0019 Å
α	90°
β	103.268 ± 0.004°
γ	90°
Cell volume	1270 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0834
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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