Information card for entry 7115863

Structure parameters

• Formula: C16 H10 Se4
• Calculated formula: C16 H10 Se4
• SMILES: c1cc(C2=C3C(=C(c4ccccc4)[Se][Se]3)[Se][Se]2)ccc1
• Title of publication: Diselenolodiselenole: a selenium containing fused heterocycle for conjugated systems
• Authors of publication: Anjan Bedi; Sashi Debnath; Sanjio S. Zade
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13454
• a: 9.5965 ± 0.0005 Å
• b: 13.4527 ± 0.0007 Å
• c: 5.8626 ± 0.0003 Å
• α: 90°
• β: 91.639 ± 0.005°
• γ: 90°
• Cell volume: 756.55 ± 0.07 ų
• Cell temperature: 109.16 ± 0.1 K
• Ambient diffraction temperature: 109.16 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0358
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No