Crystallography Open Database

Information card for entry 7129636

Preview

Coordinates	7129636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 N1.95 O4 S2.05
Calculated formula	C26 H26 N1.95 O4 S2.05
Title of publication	Organic Photoredox Catalytic Amino-heteroarylation of Unactivated Olefins to Access Distal Amino Ketones
Authors of publication	Zhang, Ji-Hua; Xiao, Teng-Fei; Ji, Zi-Qin; Chen, Han-Nan; Yan, Pen-Ji; Luo, Yong-Chun; Xu, Peng-Fei; Xu, Guo-Qiang
Journal of publication	Chemical Communications
Year of publication	2022
a	9.8319 ± 0.0003 Å
b	11.5048 ± 0.0003 Å
c	21.1845 ± 0.0006 Å
α	90°
β	96.606 ± 0.003°
γ	90°
Cell volume	2380.35 ± 0.12 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1309
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7129636.html