Crystallography Open Database

Information card for entry 4034986

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Structure parameters

Formula	C18 H13 N O Te
Calculated formula	C18 H13 N O Te
SMILES	[Te]1C(=CC=C1c1ccc(cc1)OC)c1ccc(cc1)C#N
Title of publication	2,5-Diaryltellurophenes: Effect of Electron-Donating and Electron-Withdrawing Groups on their Optoelectronic Properties.
Authors of publication	Nagahora, Noriyoshi; Yahata, Shuhei; Goto, Shoko; Shioji, Kosei; Okuma, Kentaro
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	4
Pages of publication	1969 - 1975
a	9.6198 ± 0.0007 Å
b	11.0172 ± 0.0008 Å
c	14.7869 ± 0.0014 Å
α	91.878 ± 0.003°
β	98.532 ± 0.004°
γ	108.847 ± 0.003°
Cell volume	1461.3 ± 0.2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0918
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for significantly intense reflections	0.1483
Weighted residual factors for all reflections included in the refinement	0.1553
Goodness-of-fit parameter for all reflections included in the refinement	1.258
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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