Crystallography Open Database

Information card for entry 1567414

Preview

Coordinates	1567414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H18 N2 O3
Calculated formula	C26 H18 N2 O3
Title of publication	Asymmetric higher-order [10 + n] cycloadditions of palladium-containing 10π-cycloaddends
Authors of publication	Li, Ao; Gao, Yang; Lu, Jian-Bin; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	32
Pages of publication	9265 - 9270
a	6.3457 ± 0.00007 Å
b	12.49324 ± 0.00016 Å
c	29.7405 ± 0.0004 Å
α	90°
β	93.4861 ± 0.0011°
γ	90°
Cell volume	2353.41 ± 0.05 Å³
Cell temperature	296 ± 0.9 K
Ambient diffraction temperature	296 ± 0.9 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.1426
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
277656 (current)	2022-09-06	cif/ Updating files of 1567414 Original log message: Adding full bibliography for 1567414.cif.	1567414.cif
277026	2022-08-02	cif/ Adding structures of 1567414 via cif-deposit CGI script.	1567414.cif