Crystallography Open Database

Information card for entry 1568281

Preview

Coordinates	1568281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H27 N O3 S
Calculated formula	C32 H27 N O3 S
Title of publication	Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.
Authors of publication	Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	7
Pages of publication	1896 - 1901
a	8.7448 ± 0.0003 Å
b	12.1996 ± 0.0005 Å
c	23.9382 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2553.8 ± 0.17 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 K
Number of distinct elements	5
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	0.0727
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281378 (current)	2023-03-04	cif/ Updating files of 1568280, 1568281, 1568282, 1568283, 1568284, 1568285, 1568286, 1568287 Original log message: Adding full bibliography for 1568280--1568287.cif.	1568281.cif
280402	2023-01-18	cif/ Adding structures of 1568280, 1568281, 1568282, 1568283, 1568284, 1568285, 1568286, 1568287 via cif-deposit CGI script.	1568281.cif