Crystallography Open Database

Information card for entry 7230480

Preview

Coordinates	7230480.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	BCOD-bisANBODIPYMe4_sqd
Formula	C90 H104 B2 F4 N4
Calculated formula	C90 H104 B2 F4 N4
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	15.0241 ± 0.0006 Å
b	16.7591 ± 0.0007 Å
c	20.3153 ± 0.0008 Å
α	67.913 ± 0.005°
β	71.611 ± 0.005°
γ	81.904 ± 0.006°
Cell volume	4496.3 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2227
Residual factor for significantly intense reflections	0.0829
Weighted residual factors for significantly intense reflections	0.1789
Weighted residual factors for all reflections included in the refinement	0.1979
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7230480.cif