Crystallography Open Database

Information card for entry 4037420

Preview

Coordinates	4037420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H38 B2 Cl6 F4 N4
Calculated formula	C40 H38 B2 Cl6 F4 N4
Title of publication	Aromatic Ring Fused BOPHYs as Stable Red Fluorescent Dyes.
Authors of publication	Wang, Jun; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Mu, Xiaolong; Hao, Erhong; Jiao, Lijuan
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	22
Pages of publication	11316 - 11323
a	8.457 ± 0.004 Å
b	9.132 ± 0.004 Å
c	14.715 ± 0.007 Å
α	75.15 ± 0.005°
β	76.225 ± 0.006°
γ	79.774 ± 0.006°
Cell volume	1058.6 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1448
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.2015
Weighted residual factors for all reflections included in the refinement	0.2429
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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