Crystallography Open Database

Information card for entry 7233342

Preview

Coordinates	7233342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H27 F4 N2 O3 P
Calculated formula	C21 H27 F4 N2 O3 P
Title of publication	Synthesis, structural studies and biological properties of some phosphono-perfluorophenylalanine derivatives formed by SNAr reactions
Authors of publication	Kwiczak-Yiğitbaşı, Joanna; Pirat, Jean-Luc; Virieux, David; Volle, Jean-Noël; Janiak, Agnieszka; Hoffmann, Marcin; Mrzygłód, Jakub; Wawrzyniak, Dariusz; Barciszewski, Jan; Pluskota-Karwatka, Donata
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	42
Pages of publication	24117
a	8.8604 ± 0.0004 Å
b	9.8978 ± 0.0008 Å
c	13.1171 ± 0.0007 Å
α	91.889 ± 0.005°
β	91.35 ± 0.004°
γ	109.119 ± 0.006°
Cell volume	1085.59 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
217423 (current)	2019-08-06	cif/ Adding structures of 7233342, 7233343 via cif-deposit CGI script.	7233342.cif