Crystallography Open Database

Information card for entry 7134171

Preview

Coordinates	7134171.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ethyl 2-(1,2-diphenylhydrazineyl)-2-oxoacetate
Formula	C16 H16 N2 O3
Calculated formula	C16 H16 N2 O3
Title of publication	Synergistic photocatalysis enables aerobic oxo-hydrazination of α-diazoacetates with azobenzenes.
Authors of publication	Yang, Jingya; Wang, Shengyu; Han, Yating; Dong, Qi; Ma, Wantong; Zhou, Hongyan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	6
Pages of publication	1188 - 1191
a	8.4277 ± 0.0001 Å
b	11.4571 ± 0.0002 Å
c	31.6448 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3055.53 ± 0.09 Å³
Cell temperature	304.62 ± 0.1 K
Ambient diffraction temperature	304.62 ± 0.1 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297330 (current)	2025-01-16	cif/ Adding structures of 7134171 via cif-deposit CGI script.	7134171.cif