Information card for entry 4023684

Structure parameters

• Formula: C20 H11 N
• Calculated formula: C20 H11 N
• SMILES: [nH]1c2ccc3cccc4c3c2c2c1ccc1cccc4c21
• 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: 10.015 ± 0.002 Å
• b: 10.598 ± 0.002 Å
• c: 11.77 ± 0.002 Å
• α: 90°
• β: 100.36 ± 0.03°
• γ: 90°
• Cell volume: 1228.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.113
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.2246
• Weighted residual factors for all reflections included in the refinement: 0.2432
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No