Crystallography Open Database

Information card for entry 7245608

Preview

Coordinates	7245608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H27 F7 N4 O4
Calculated formula	C28 H27 F7 N4 O4
Title of publication	Four-component defluorinative reaction of allylic fluorides, amidines, and Cs2CO3 under transition-metal-free conditions
Authors of publication	Chen, Yu-Lan; Sun, Li-Wen; Chen, Jia-Wei; Zhu, Ming-Quan; Ma, Mengtao; Shen, Zhi-Liang; Chu, Xue-Qiang
Journal of publication	Green Chemistry
Year of publication	2022
Journal volume	24
Journal issue	18
Pages of publication	6816 - 6822
a	9.8007 ± 0.0008 Å
b	19.457 ± 0.0018 Å
c	15.5025 ± 0.0012 Å
α	90°
β	99.565 ± 0.007°
γ	90°
Cell volume	2915.1 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1359
Residual factor for significantly intense reflections	0.0926
Weighted residual factors for significantly intense reflections	0.2199
Weighted residual factors for all reflections included in the refinement	0.2673
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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

Version history

Revision	Date	Message	Files
278366 (current)	2022-10-05	cif/ Adding structures of 7245608 via cif-deposit CGI script.	7245608.cif