Crystallography Open Database

Information card for entry 7055362

Preview

Coordinates	7055362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H20.95 B Cl0.05 F2 N4
Calculated formula	C37 H20.952 B Cl0.048 F2 N4
Title of publication	Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.
Authors of publication	Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H
Journal of publication	New journal of chemistry = Nouveau journal de chimie
Year of publication	2016
Journal volume	40
Journal issue	7
Pages of publication	5740 - 5751
a	13.2913 ± 0.0016 Å
b	16.431 ± 0.002 Å
c	13.4762 ± 0.0016 Å
α	90°
β	107.238 ± 0.002°
γ	90°
Cell volume	2810.9 ± 0.6 Å³
Cell temperature	90 ± 0.5 K
Ambient diffraction temperature	90 ± 0.5 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.095
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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