Crystallography Open Database

Information card for entry 4035872

Preview

Coordinates	4035872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 B2 Br5 F4 N8
Calculated formula	C20 H24 B2 Br5 F4 N8
Title of publication	Polybrominated BOPHY Dyes: Synthesis, Reactivity, and Properties.
Authors of publication	Lv, Xiaokang; Li, Tingting; Wu, Qinghua; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	3
Pages of publication	1134 - 1145
a	6.275 ± 0.005 Å
b	10.748 ± 0.008 Å
c	11.424 ± 0.009 Å
α	79.967 ± 0.009°
β	85.892 ± 0.009°
γ	85.819 ± 0.01°
Cell volume	755.3 ± 1 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1138
Goodness-of-fit parameter for all reflections included in the refinement	1.0194
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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