Information card for entry 4022542

Structure parameters

• Formula: C20 H23 N
• Calculated formula: C20 H23 N
• SMILES: [C@H]1(C)CC=C[C@H](Cc2ccccc2)N1Cc1ccccc1.[C@@H]1(C)CC=C[C@@H](Cc2ccccc2)N1Cc1ccccc1
• Title of publication: A Versatile Indium Trichloride Mediated Prins-Type Reaction to Unsaturated Heterocycles
• Authors of publication: Adrian P. Dobbs; Sebastien J. J. Guesné; Saša Martinovič; Simon J. Coles; Michael B. Hursthouse
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 7880 - 7883
• a: 28.3055 ± 0.0003 Å
• b: 6.2688 ± 0.0001 Å
• c: 21.0333 ± 0.0003 Å
• α: 90°
• β: 122.44 ± 0.001°
• γ: 90°
• Cell volume: 3149.79 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No