Crystallography Open Database

Information card for entry 7063684

Preview

Coordinates	7063684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H25 N3 O3
Calculated formula	C21 H25 N3 O3
Title of publication	Mantis-shaped chiral pyridine-N-oxides: a new class of ligands in asymmetric palladium(ii)-catalysed Friedel–Crafts alkylation
Authors of publication	Yang, Lan-Lan; Pan, Di-Cheng; Zhu, Xian-Qiao; Liu, De-Wu; Tang, Xing-Zhou; Cen, Hong-Xing; Peng, Li-Jun; Liu, Xiong-Li
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	13
Pages of publication	5346 - 5351
a	7.117 ± 0.0003 Å
b	16.0841 ± 0.0007 Å
c	16.6316 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1903.83 ± 0.14 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	1.151
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299025 (current)	2025-04-05	cif/ Updating files of 7063684 Original log message: Adding full bibliography for 7063684.cif.	7063684.cif
297920	2025-02-28	cif/ Adding structures of 7063684 via cif-deposit CGI script.	7063684.cif