Crystallography Open Database

Information card for entry 7230476

Preview

Coordinates	7230476.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	B-bisANBODIPYMe4
Formula	C88 H100 B2 F4 N4
Calculated formula	C88 H100 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	40.901 ± 0.003 Å
b	9.5734 ± 0.0008 Å
c	23.3784 ± 0.0019 Å
α	90°
β	109.513 ± 0.008°
γ	90°
Cell volume	8628.3 ± 1.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0878
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1748
Weighted residual factors for all reflections included in the refinement	0.187
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	7230476.cif