Crystallography Open Database

Information card for entry 7230479

Preview

Coordinates	7230479.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	B-bisANBODIPYtetraester_HexO
Formula	C92 H100.75 B1.25 F2.5 N4 O10
Calculated formula	C92 H100.75 B1.25 F2.5 N4 O10
Title of publication	Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes
Authors of publication	Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	25
Pages of publication	14072
a	14.448 ± 0.0004 Å
b	16.3453 ± 0.0004 Å
c	17.0276 ± 0.0004 Å
α	96.286 ± 0.007°
β	100.811 ± 0.007°
γ	92.31 ± 0.007°
Cell volume	3918.4 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0942
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.1996
Weighted residual factors for all reflections included in the refinement	0.211
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
207363 (current)	2018-04-16	cif/ Adding structures of 7230476, 7230477, 7230478, 7230479, 7230480 via cif-deposit CGI script.	7230479.cif