Crystallography Open Database

Information card for entry 7220840

7220839 << 7220840 >> 7220841

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Coordinates	7220840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 O2 Te
Calculated formula	C14 H18 O2 Te
SMILES	[Te](c1c(cc(C)cc1C)C)/C=C\C(=O)OCC
Title of publication	Hydrotelluration of acetylenic Esters: Structural Characterization of Stereoisomers of Methyl/ethyl (β-aryltelluro)acrylates
Authors of publication	Chauhan, Ashok Kumar Singh; Singh, Bandana; Srivastava, Ramesh Chandra; Duthie, Andrew; Butcher, Ray Jay
Journal of publication	RSC Adv.
Year of publication	2015
a	7.4608 ± 0.0002 Å
b	10.2199 ± 0.0003 Å
c	18.945 ± 0.0007 Å
α	88.279 ± 0.003°
β	86.598 ± 0.003°
γ	79.657 ± 0.002°
Cell volume	1418.28 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0584
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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