Crystallography Open Database

Information card for entry 7157671

Preview

Coordinates	7157671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H25 N5 O12
Calculated formula	C26 H25 N5 O12
Title of publication	Alkyl lithium-catalyzed benzylic C-H bond addition of alkyl pyridines to α-alkenes.
Authors of publication	Luo, Yan-Long; Liu, Yu-Feng; Guan, Bing-Tao
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	34
Pages of publication	6622 - 6626
a	10.0331 ± 0.0001 Å
b	11.8988 ± 0.0001 Å
c	13.4124 ± 0.0002 Å
α	108 ± 0.001°
β	99.413 ± 0.001°
γ	106.679 ± 0.001°
Cell volume	1401.73 ± 0.03 Å³
Cell temperature	294.15 K
Ambient diffraction temperature	294.15 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	0.0605
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.178
Weighted residual factors for all reflections included in the refinement	0.1816
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7157671.html