Crystallography Open Database

Information card for entry 7128144

Preview

Coordinates	7128144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 F4 O P
Calculated formula	C20 H15 F4 O P
Title of publication	All-carbon phosphoranes <i>via</i> difluorocarbene trapping.
Authors of publication	Smirnov, Vladimir O.; Volodin, Alexander D.; Korlyukov, Alexander A.; Dilman, Alexander D.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	39
Pages of publication	4823 - 4826
a	15.0201 ± 0.0006 Å
b	9.3245 ± 0.0004 Å
c	25.3352 ± 0.0011 Å
α	90°
β	104.918 ± 0.001°
γ	90°
Cell volume	3428.7 ± 0.3 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.095
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
265877 (current)	2021-06-05	cif/ Updating files of 7128144, 7128145, 7128146 Original log message: Adding full bibliography for 7128144--7128146.cif.	7128144.cif
263954	2021-04-08	cif/ Adding structures of 7128144, 7128145, 7128146 via cif-deposit CGI script.	7128144.cif