Crystallography Open Database

Information card for entry 7240840

Preview

Coordinates	7240840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 F5 N2 O
Calculated formula	C25 H21 F5 N2 O
SMILES	FC(F)(F)c1ccc(/N=C2\OC(CN2Cc2ccccc2)(CC(F)F)c2ccccc2)cc1
Title of publication	Visible-light promoted three-component tandem reaction to synthesize difluoromethylated oxazolidin-2-imine
Authors of publication	Bao, Kun; Wei, Jun; Yan, Huihui; Sheng, Rong
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	43
Pages of publication	25947 - 25951
a	8.6898 ± 0.001 Å
b	11.1725 ± 0.0011 Å
c	12.0639 ± 0.0013 Å
α	76.082 ± 0.004°
β	73.273 ± 0.004°
γ	77.314 ± 0.004°
Cell volume	1074.4 ± 0.2 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 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	0.0821
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1787
Weighted residual factors for all reflections included in the refinement	0.1915
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258018 (current)	2020-10-06	cif/ Updating files of 7240840 Original log message: Adding full bibliography for 7240840.cif.	7240840.cif
254170	2020-07-10	cif/ Adding structures of 7240840 via cif-deposit CGI script.	7240840.cif