Crystallography Open Database

Information card for entry 4134718

Preview

Coordinates	4134718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H33 N O3 S
Calculated formula	C35 H33 N O3 S
Title of publication	Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles: Access to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons.
Authors of publication	Hong, Feng-Lin; Chen, Yang-Bo; Ye, Si-Han; Zhu, Guang-Yu; Zhu, Xin-Qi; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	16
Pages of publication	7618 - 7626
a	8.5056 ± 0.0001 Å
b	13.3487 ± 0.0003 Å
c	25.1954 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2860.65 ± 0.09 Å³
Cell temperature	99.9 ± 0.9 K
Ambient diffraction temperature	99.9 ± 0.9 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	0.0665
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1546
Weighted residual factors for all reflections included in the refinement	0.1688
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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
251455 (current)	2020-05-04	cif/ Updating files of 4134716, 4134717, 4134718 Original log message: Adding full bibliography for 4134716--4134718.cif.	4134718.cif
250792	2020-04-16	cif/ Adding structures of 4134718 via cif-deposit CGI script.	4134718.cif