Crystallography Open Database

Information card for entry 7156949

Preview

Coordinates	7156949.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3,3,4,4,5,5-hexafluoro-1,2-bis[2,3,5,6-tetrafluoro-4-(2-(4-methoxyphenyl)ethyn-1-yl)phenyl]cyclopentene
Formula	C35 H14 F14 O2
Calculated formula	C35 H14 F14 O2
Title of publication	Synthesis and characterization of bent fluorine-containing donor-π-acceptor molecules as intense luminophores with large Stokes shifts.
Authors of publication	Yamada, Shigeyuki; Nishizawa, Akito; Morita, Masato; Hosokai, Takuya; Okabayashi, Yusuke; Agou, Tomohiro; Hosoya, Takaaki; Kubota, Toshio; Konno, Tsutomu
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	28
Pages of publication	6911 - 6919
a	6.2739 ± 0.0008 Å
b	20.464 ± 0.003 Å
c	23.723 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3045.8 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.2005
Residual factor for significantly intense reflections	0.0816
Weighted residual factors for significantly intense reflections	0.1748
Weighted residual factors for all reflections included in the refinement	0.2656
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
225032 (current)	2019-11-08	cif/ Updating files of 7156949, 7156950 Original log message: Adding full bibliography for 7156949--7156950.cif.	7156949.cif
216674	2019-07-02	cif/ Adding structures of 7156949, 7156950 via cif-deposit CGI script.	7156949.cif