Information card for entry 4022366

Structure parameters

• Formula: C20 H15 N
• Calculated formula: C20 H15 N
• SMILES: N(c1c2ccccc2ccc1)c1c2ccccc2ccc1
• Title of publication: Bridged Triarylamines: A New Class of Heterohelicenes
• Authors of publication: Jason E. Field; Thomas J. Hill; D. Venkataraman
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 6071 - 6078
• a: 10.4907 ± 0.0007 Å
• b: 10.9269 ± 0.0007 Å
• c: 14.5995 ± 0.0012 Å
• α: 90°
• β: 120 ± 180°
• γ: 90°
• Cell volume: 1431.8 ± 0.2 ų
• Cell temperature: 298 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: 0.0985
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.2057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No