Crystallography Open Database

Information card for entry 4120393

4120392 << 4120393 >> 4120394

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Structure parameters

Formula	C30 H26 B2 Cl4
Calculated formula	C30 H26 B2 Cl4
SMILES	B1(c2c(B(c3c1cc(c(c3)Cl)Cl)c1c(cc(cc1C)C)C)cc(c(c2)Cl)Cl)c1c(cc(cc1C)C)C
Title of publication	C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores
Authors of publication	Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	12892 - 12907
a	11.9805 ± 0.0015 Å
b	11.5699 ± 0.001 Å
c	10.2947 ± 0.001 Å
α	90°
β	106.656 ± 0.008°
γ	90°
Cell volume	1367.1 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0749
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.2084
Weighted residual factors for all reflections included in the refinement	0.2132
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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