Crystallography Open Database

Information card for entry 7157319

Preview

Coordinates	7157319.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 F N O2
Calculated formula	C12 H10 F N O2
Title of publication	Johnson-Corey-Chaykovsky fluorocyclopropanation of double activated alkenes: scope and limitations.
Authors of publication	Kazia, Armands; Melngaile, Renate; Mishnev, Anatoly; Veliks, Janis
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	7
Pages of publication	1384 - 1388
a	9.3585 ± 0.0001 Å
b	13.5874 ± 0.0001 Å
c	17.4681 ± 0.0001 Å
α	103.374 ± 0.001°
β	91.665 ± 0.001°
γ	93.433 ± 0.001°
Cell volume	2154.98 ± 0.03 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 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	0.0537
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1593
Weighted residual factors for all reflections included in the refinement	0.1626
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
249044 (current)	2020-03-05	cif/ Updating files of 7157319 Original log message: Adding full bibliography for 7157319.cif.	7157319.cif
247181	2020-01-24	cif/ Adding structures of 7157319 via cif-deposit CGI script.	7157319.cif