Information card for entry 1529355

Structure parameters

• Formula: C14 H16 O4 Te
• Calculated formula: C14 H16 O4 Te
• SMILES: [Te]12(OC(=O)C3=C1CCCC3)OC(=O)C1=C2CCCC1
• Title of publication: Synthesis, Structure and Antioxidant Activity of Cyclohexene-Fused Selenuranes and Related Derivatives.
• Authors of publication: Prasad, Poonam Rajesh; Singh, Harkesh B.; Butcher, Ray J.
• Journal of publication: Molecules (Basel, Switzerland)
• Year of publication: 2015
• Journal volume: 20
• Journal issue: 7
• Pages of publication: 12670 - 12685
• a: 15.7046 ± 0.0002 Å
• b: 8.83038 ± 0.00016 Å
• c: 19.1603 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2657.1 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No