Information card for entry 1503809

Structure parameters

• Formula: C6 H8 O2 Se
• Calculated formula: C6 H8 O2 Se
• SMILES: [se]1cc(OC)c(OC)c1
• Title of publication: Synthesis, structure, and electropolymerization of 3,4-dimethoxytellurophene: comparison with selenium analogue.
• Authors of publication: Patra, Asit; Wijsboom, Yair H.; Leitus, Gregory; Bendikov, Michael
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1487 - 1490
• a: 10.7242 ± 0.0003 Å
• b: 21.707 ± 0.0007 Å
• c: 6.1704 ± 0.0002 Å
• α: 90°
• β: 94.349 ± 0.001°
• γ: 90°
• Cell volume: 1432.27 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No