Crystallography Open Database

Information card for entry 4314612

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Structure parameters

Formula	C35 H14 F10 N4 S
Calculated formula	C35 H14 F10 N4 S
SMILES	c12ccc(C(=c3ccc(C(=c4ccc(=C(c5ccc1[nH]5)c1c(c(c(c(c1F)F)F)F)F)[nH]4)c1cccs1)n3)c1c(c(c(c(c1F)F)F)F)F)[nH]2
Title of publication	Synthetic, Cyclic Voltammetric, Structural, EPR, and UV-Vis Spectroscopic Studies of Thienyl-Containing meso-A2B-cor(CrV=O) Systems: Consideration of Three Interrelated Molecular Detection Modalities
Authors of publication	Olga A. Egorova; Olga G. Tsay; Snehadrinarayan Khatua; Bhupal Meka; Nilkamal Maiti; Min-Kyu Kim; Seong Jung Kwon; Jung Oh Huh; Daniela Bucella; Sa-Ouk Kang; Juhyoun Kwak; David G. Churchill
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	502 - 512
a	14.4873 ± 0.0018 Å
b	7.7533 ± 0.0008 Å
c	25.313 ± 0.003 Å
α	90°
β	95.37 ± 0.002°
γ	90°
Cell volume	2830.8 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.213
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.1719
Weighted residual factors for all reflections included in the refinement	0.2316
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	No
Has F_obs	No

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