Crystallography Open Database

Information card for entry 7247726

Preview

Coordinates	7247726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 F N2 O2
Calculated formula	C17 H15 F N2 O2
SMILES	FC(=C(c1ccccc1)\c1ncccc1)\C(=O)NC(=O)CC
Title of publication	Practical conversion of gem-difluorocyclopropenes for the chemodivergent assembly of fluorinated heterocyclic frameworks
Authors of publication	Pan, Dongping; Liu, Fu-Xiaomin; Zeng, Zhongyi; Ye, Junwei; Cai, Ying; Wang, Shengdong; Zhou, Zhi; Yi, Wei
Journal of publication	Green Chemistry
Year of publication	2023
Journal volume	25
Journal issue	24
Pages of publication	10630 - 10637
a	8.8203 ± 0.0005 Å
b	9.1068 ± 0.0006 Å
c	10.6468 ± 0.0006 Å
α	67.05 ± 0.006°
β	88.22 ± 0.004°
γ	71.172 ± 0.005°
Cell volume	740.95 ± 0.09 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1552
Weighted residual factors for all reflections included in the refinement	0.1585
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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

Version history

Revision	Date	Message	Files
288818 (current)	2024-01-06	cif/ Updating files of 7247725, 7247726, 7247727, 7247728 Original log message: Adding full bibliography for 7247725--7247728.cif.	7247726.cif
287599	2023-11-15	cif/ Adding structures of 7247725, 7247726, 7247727, 7247728 via cif-deposit CGI script.	7247726.cif