Crystallography Open Database

Information card for entry 7160979

Preview

Coordinates	7160979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H39 N O4
Calculated formula	C36 H39 N O4
Title of publication	Aryne-mediated synthesis of sterically hindered arylamines using TEMPO as the amine source.
Authors of publication	Liang, Qiaofeng; Zhong, Zhiwen; Sheng, Zhihan; Sun, Bingfeng; Zhu, Chenlong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2026
Journal volume	24
Journal issue	9
Pages of publication	1792 - 1797
a	15.532 ± 0.007 Å
b	11.97 ± 0.005 Å
c	17.168 ± 0.006 Å
α	90°
β	104.089 ± 0.009°
γ	90°
Cell volume	3096 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2001
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.1473
Weighted residual factors for all reflections included in the refinement	0.206
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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/7160979.html