Crystallography Open Database

Information card for entry 4032719

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Coordinates	4032719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H14 N O4
Calculated formula	C13 H14 N O4
Title of publication	Rh-Catalyzed Regioselective ortho-C-H Carbenoid Insertion of Diarylazines.
Authors of publication	Yu, Yunliang; Kuai, Changsheng; Chauvin, Remi; Tian, Nian; Ma, Shuangshuang; Cui, Xiuling
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	16
Pages of publication	8611 - 8616
a	7.9578 ± 0.0003 Å
b	14.6936 ± 0.0005 Å
c	24.4705 ± 0.001 Å
α	90°
β	97.184 ± 0.003°
γ	90°
Cell volume	2838.84 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.087
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.2092
Weighted residual factors for all reflections included in the refinement	0.2257
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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