Crystallography Open Database

Information card for entry 7246186

Preview

Coordinates	7246186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H29 N O
Calculated formula	C25 H29 N O
Title of publication	Palladium-catalyzed alkyne hydrocarbonylation under atmospheric pressure of carbon monoxide in the presence of hydrosilane
Authors of publication	Luo, Yu; Wang, Xilong; Liu, Qianwen; He, Yimiao; Li, Jing; Luo, Shuang; Zhu, Qiang
Journal of publication	Green Chemistry
Year of publication	2023
Journal volume	25
Journal issue	3
Pages of publication	1120 - 1127
a	11.2 ± 0.0002 Å
b	7.8745 ± 0.0001 Å
c	11.8582 ± 0.0002 Å
α	90°
β	103.292 ± 0.001°
γ	90°
Cell volume	1017.81 ± 0.03 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0317
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0804
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
281483 (current)	2023-03-04	cif/ Updating files of 7246185, 7246186 Original log message: Adding full bibliography for 7246185--7246186.cif.	7246186.cif
280480	2023-01-21	cif/ Adding structures of 7246185, 7246186 via cif-deposit CGI script.	7246186.cif