Crystallography Open Database

Information card for entry 4120396

4120395 << 4120396 >> 4120397

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Coordinates	4120396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H38 B2 S4
Calculated formula	C46 H38 B2 S4
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	12.195 ± 0.002 Å
b	12.964 ± 0.002 Å
c	13.539 ± 0.002 Å
α	105.397 ± 0.012°
β	95.611 ± 0.014°
γ	97.723 ± 0.014°
Cell volume	2024.9 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1688
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for significantly intense reflections	0.161
Weighted residual factors for all reflections included in the refinement	0.1917
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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