Information card for entry 1505553

Structure parameters

• Formula: C18 H10 Se2
• Calculated formula: C18 H10 Se2
• SMILES: [se]1c2ccccc2c2c1cc1c3ccccc3[se]c1c2
• Title of publication: Synthesis, properties, and structures of benzo[1,2-b:4,5-b']bis[b]benzothiophene and benzo[1,2-b:4,5-b']bis[b]benzoselenophene.
• Authors of publication: Ebata, Hideaki; Miyazaki, Eigo; Yamamoto, Tatsuya; Takimiya, Kazuo
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 22
• Pages of publication: 4499 - 4502
• a: 14.646 ± 0.002 Å
• b: 8.669 ± 0.001 Å
• c: 10.955 ± 0.001 Å
• α: 90°
• β: 103.934 ± 0.009°
• γ: 90°
• Cell volume: 1350 ± 0.3 ų
• Cell temperature: 298.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 0.79
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No