Information card for entry 4022359

Structure parameters

• Formula: C28 H21 N O2
• Calculated formula: C28 H21 N O2
• SMILES: O=C1c2c3N(c4c1ccc1ccccc41)c1ccccc1C(=O)c3cc(c2)C(C)(C)C
• 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: 8.8628 ± 0.0002 Å
• b: 11.4131 ± 0.0003 Å
• c: 20.4548 ± 0.0007 Å
• α: 90°
• β: 93.2904 ± 0.001°
• γ: 90°
• Cell volume: 2065.63 ± 0.1 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• 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: 0.1004
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.2092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.382
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No