Crystallography Open Database

Information card for entry 7157723

Preview

Coordinates	7157723.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H40 N2 O
Calculated formula	C23 H40 N2 O
Title of publication	Palladium-catalyzed double coupling reaction of terminal alkynes with isocyanides: a direct approach to symmetrical <i>N</i>-aryl dialkynylimines.
Authors of publication	Xi, Zhi-Wei; He, Yan; Liu, Li-Qiu; Wang, Ying-Chun
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	40
Pages of publication	8089 - 8093
a	8.2053 ± 0.0005 Å
b	9.9516 ± 0.0006 Å
c	14.8729 ± 0.0013 Å
α	79.118 ± 0.006°
β	88.843 ± 0.006°
γ	68.605 ± 0.006°
Cell volume	1108.86 ± 0.15 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0654
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
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
258964 (current)	2020-11-06	cif/ Updating files of 7157722, 7157723, 7157724 Original log message: Adding full bibliography for 7157722--7157724.cif.	7157723.cif
256847	2020-09-30	cif/ Adding structures of 7157722, 7157723, 7157724 via cif-deposit CGI script.	7157723.cif