Crystallography Open Database

Information card for entry 4102288

Preview

Structure parameters

Formula	C26 H18 N2 O2 Te
Calculated formula	C26 H18 N2 O2 Te
SMILES	[Te]12(c3c(cccc3)C(=O)N1c1ccccc1)c1c(cccc1)C(=O)N2c1ccccc1
Title of publication	Synthesis, Structure, Spirocyclization Mechanism, and Glutathione Peroxidase-like Antioxidant Activity of Stable Spirodiazaselenurane and Spirodiazatellurane
Authors of publication	Bani Kanta Sarma; Debasish Manna; Mao Minoura; Govindasamy Mugesh
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	5364 - 5374
a	9.9216 ± 0.001 Å
b	10.6161 ± 0.001 Å
c	19.8643 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2092.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0647
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0644
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4102288.html