Crystallography Open Database

Information card for entry 4035514

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Structure parameters

Formula	C26 H21 B F2 N2 Se2
Calculated formula	C26 H21 B F2 N2 Se2
SMILES	[se]1cccc1c1n2[B](F)(F)[n]3c(ccc3c3[se]ccc3)=C(c2cc1)c1c(C)cc(cc1C)C
Title of publication	Synthesis and Unique Optical Properties of Selenophenyl BODIPYs and Their Linear Oligomers.
Authors of publication	Taguchi, Daisuke; Nakamura, Takashi; Horiuchi, Hiroaki; Saikawa, Makoto; Nabeshima, Tatsuya
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	9
Pages of publication	5331 - 5337
a	13.2178 ± 0.0005 Å
b	12.0114 ± 0.0005 Å
c	14.7654 ± 0.0006 Å
α	90°
β	107.36 ± 0.001°
γ	90°
Cell volume	2237.44 ± 0.16 Å³
Cell temperature	96 ± 2 K
Ambient diffraction temperature	96 ± 2 K
Number of distinct elements	6
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	0.0515
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1361
Weighted residual factors for all reflections included in the refinement	0.1492
Goodness-of-fit parameter for all reflections included in the refinement	1.206
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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