Crystallography Open Database

Information card for entry 1545724

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Coordinates	1545724.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 S Te
Calculated formula	C14 H8 S Te
SMILES	[Te]1c2ccccc2c2c1sc1ccccc21
Title of publication	Versatile Telluracycle Synthesis via Sequential Electrophilic Telluration of C(sp2)‒Zn and C(sp2)‒H Bonds
Authors of publication	Wu, Bin; none, Melvina; Wu, Xiangyang; Yeow, Edwin; Yoshikai, Naohiko
Journal of publication	Chem. Sci.
Year of publication	2017
a	9.6238 ± 0.0013 Å
b	4.2326 ± 0.0006 Å
c	13.66 ± 0.002 Å
α	90°
β	98.795 ± 0.005°
γ	90°
Cell volume	549.88 ± 0.13 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0385
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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