Information card for entry 4023683

Structure parameters

• Formula: C20 H10 Se
• Calculated formula: C20 H10 Se
• SMILES: [se]1c2ccc3cccc4c5cccc6ccc1c(c2c34)c56
• Title of publication: Heteroatom-Annulated Perylenes: Practical Synthesis, Photophysical Properties, and Solid-State Packing Arrangement
• Authors of publication: Wei Jiang; Hualei Qian; Yan Li; Zhaohui Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 7369 - 7372
• a: 18.073 ± 0.006 Å
• b: 4.4289 ± 0.0013 Å
• c: 17.102 ± 0.005 Å
• α: 90°
• β: 113.396 ± 0.003°
• γ: 90°
• Cell volume: 1256.3 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.036
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No