Crystallography Open Database

Information card for entry 7157722

Preview

Coordinates	7157722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H34 I N O2
Calculated formula	C37 H33.755 I N O2
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	5.8087 ± 0.0003 Å
b	11.2608 ± 0.0007 Å
c	47.001 ± 0.002 Å
α	93.058 ± 0.005°
β	90.358 ± 0.004°
γ	92.48 ± 0.005°
Cell volume	3067 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1386
Residual factor for significantly intense reflections	0.0949
Weighted residual factors for significantly intense reflections	0.2192
Weighted residual factors for all reflections included in the refinement	0.2505
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7157722.cif
256847	2020-09-30	cif/ Adding structures of 7157722, 7157723, 7157724 via cif-deposit CGI script.	7157722.cif