Information card for entry 4107826

Structure parameters

• Formula: C6 H4 Br2 O2 Se
• Calculated formula: C6 H4 Br2 O2 Se
• SMILES: Brc1[se]c(Br)c2OCCOc12
• Title of publication: Poly(3,4-ethylenedioxyselenophene)
• Authors of publication: Asit Patra; Yair H. Wijsboom; Sanjio S. Zade; Mao Li; Yana Sheynin; Gregory Leitus; Michael Bendikov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 6734 - 6736
• a: 4.015 ± 0.0008 Å
• b: 11.236 ± 0.002 Å
• c: 9.332 ± 0.0019 Å
• α: 90°
• β: 95.66 ± 0.03°
• γ: 90°
• Cell volume: 418.94 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No