Crystallography Open Database

Information card for entry 7237886

Preview

Coordinates	7237886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H30 F6 N4 O4
Calculated formula	C44 H30 F6 N4 O4
Title of publication	Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes
Authors of publication	Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	29
Pages of publication	8847
a	5.8781 ± 0.0005 Å
b	18.3134 ± 0.0019 Å
c	17.3997 ± 0.0018 Å
α	90°
β	93.672 ± 0.009°
γ	90°
Cell volume	1869.2 ± 0.3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1791
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.1645
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation probe	x-ray
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
238704 (current)	2019-11-24	cif/ Adding structures of 7237886 via cif-deposit CGI script.	7237886.cif