Crystallography Open Database

Information card for entry 7160582

Preview

Coordinates	7160582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 N O3
Calculated formula	C20 H17 N O3
Title of publication	Pd(II)-catalyzed domino C-H addition/Heck reaction for stereoselective 3-alkylideneoxindole synthesis.
Authors of publication	Hong, Kai; Zhang, Tengfei; Li, Qing; Li, Xue; Sun, Zhonghui; Zhao, Gongyuan; Peng, Jinsong; Chen, Chunxia
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	26
Pages of publication	6391 - 6399
a	10.883 ± 0.004 Å
b	6.841 ± 0.002 Å
c	22.542 ± 0.007 Å
α	90°
β	99.404 ± 0.011°
γ	90°
Cell volume	1655.7 ± 0.9 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1196
Residual factor for significantly intense reflections	0.0845
Weighted residual factors for significantly intense reflections	0.2381
Weighted residual factors for all reflections included in the refinement	0.2783
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301102 (current)	2025-07-06	cif/ Updating files of 7160582 Original log message: Adding full bibliography for 7160582.cif.	7160582.cif
299989	2025-06-06	cif/ Adding structures of 7160582 via cif-deposit CGI script.	7160582.cif