Crystallography Open Database

Information card for entry 7056130

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Structure parameters

Formula	C43 H35 Cl3 O4
Calculated formula	C43 H35 Cl3 O4
SMILES	ClC(Cl)Cl.O(c1ccc(c2ccc3c(c4cc(ccc4c(c3c2)c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)C
Title of publication	Tri- and tetraarylanthracenes with novel λ, χ and ψ topologies as blue-emissive as well as fluorescent host materials in organic light-emitting diodes (OLEDs)
Authors of publication	Jhulki, Samik; Bajpai, Alankriti; Nagarajaiah, H.; Chow, Tahsin J.; Moorthy, J. Narasimha
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	11
Pages of publication	4510 - 4517
a	12.8728 ± 0.0015 Å
b	9.7876 ± 0.0011 Å
c	15.2958 ± 0.0019 Å
α	90°
β	112.529 ± 0.004°
γ	90°
Cell volume	1780.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1687
Residual factor for significantly intense reflections	0.0962
Weighted residual factors for significantly intense reflections	0.2254
Weighted residual factors for all reflections included in the refinement	0.2441
Goodness-of-fit parameter for all reflections included in the refinement	1.303
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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