Information card for entry 4022362

Structure parameters

• Formula: C21 H13 N O2
• Calculated formula: C21 H13 N O2
• SMILES: O=C1c2c3N(c4c1cccc4)c1ccccc1C(=O)c3cc(C)c2
• 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: 3.9442 ± 0.0002 Å
• b: 10.3945 ± 0.0004 Å
• c: 34.639 ± 0.002 Å
• α: 90°
• β: 91.587 ± 0.001°
• γ: 90°
• Cell volume: 1419.6 ± 0.1 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1871
• Residual factor for significantly intense reflections: 0.1151
• Weighted residual factors for significantly intense reflections: 0.2906
• Weighted residual factors for all reflections included in the refinement: 0.3509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No