Crystallography Open Database

Information card for entry 2023407

2023406 << 2023407 >> 2023408

Preview

Coordinates	2023407.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1-[1-(2,6-Difluorophenyl)-2-phenylethyl]pyrrolidin-1-ium chloride
Formula	C18 H20 Cl F2 N
Calculated formula	C18 H20 Cl F2 N
Title of publication	Synthesis and crystal structures of five fluorinated diphenidine derivatives.
Authors of publication	Mewis, Ryan E.; Hulme, Matthew C.; Marron, Jack; Langley, Stuart K.; Sutcliffe, Oliver B.; Benjamin, Sophie L.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2025
Journal volume	81
Journal issue	Pt 3
Pages of publication	229 - 234
a	8.1365 ± 0.0004 Å
b	12.7421 ± 0.001 Å
c	16.0451 ± 0.0008 Å
α	88.059 ± 0.005°
β	82.349 ± 0.004°
γ	86.14 ± 0.005°
Cell volume	1644.42 ± 0.17 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.1033
Residual factor for significantly intense reflections	0.0896
Weighted residual factors for significantly intense reflections	0.2001
Weighted residual factors for all reflections included in the refinement	0.2059
Goodness-of-fit parameter for all reflections included in the refinement	1.185
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
299190 (current)	2025-04-05	cif/ Updating files of 2023405, 2023406, 2023407, 2023408, 2023409 Original log message: Adding full bibliography for 2023405--2023409.cif.	2023407.cif
297754	2025-02-15	cif/ Adding structures of 2023405, 2023406, 2023407, 2023408, 2023409 via cif-deposit CGI script.	2023407.cif