Crystallography Open Database

Information card for entry 7230477

Preview

Coordinates	7230477.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	BCOD-bisANBODIPYtetraester
Formula	C106 H130 B2 Cl6 F4 N4 O10
Calculated formula	C106 H130 B2 Cl6 F4 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	18.82 ± 0.005 Å
b	9.636 ± 0.003 Å
c	29.019 ± 0.008 Å
α	90°
β	99.313 ± 0.004°
γ	90°
Cell volume	5193 ± 3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1355
Residual factor for significantly intense reflections	0.0981
Weighted residual factors for significantly intense reflections	0.2083
Weighted residual factors for all reflections included in the refinement	0.234
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
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.	7230477.cif