Crystallography Open Database

Information card for entry 2023408

2023407 << 2023408 >> 2023409

Preview

Coordinates	2023408.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	[1-(2,6-Difluorophenyl)-2-phenylethyl](ethyl)azanium chloride dichloromethane hemisolvate
Formula	C33 H38 Cl4 F4 N2
Calculated formula	C33 H38 Cl4 F4 N2
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	22.9963 ± 0.0014 Å
b	7.8729 ± 0.0005 Å
c	19.033 ± 0.001 Å
α	90°
β	92.13 ± 0.005°
γ	90°
Cell volume	3443.5 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.0768
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
299190 (current)	2025-04-05	cif/ Updating files of 2023405, 2023406, 2023407, 2023408, 2023409 Original log message: Adding full bibliography for 2023405--2023409.cif.	2023408.cif
297754	2025-02-15	cif/ Adding structures of 2023405, 2023406, 2023407, 2023408, 2023409 via cif-deposit CGI script.	2023408.cif