Crystallography Open Database

Information card for entry 4033745

Preview

Coordinates	4033745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H13 F5
Calculated formula	C26 H13 F5
Title of publication	Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.
Authors of publication	Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	4
Pages of publication	1980 - 1993
a	14.984 ± 0.003 Å
b	7.7036 ± 0.0014 Å
c	15.893 ± 0.002 Å
α	90°
β	96.609 ± 0.009°
γ	90°
Cell volume	1822.3 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0883
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for all reflections	0.1099
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	1
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
222320 (current)	2019-11-04	cif/ Adding structures of 4033745 via cif-deposit CGI script.	4033745.cif