Information card for entry 7204230

Structure parameters

• Formula: C24 H23 N
• Calculated formula: C24 H23 N
• SMILES: C1(=N[C@H]([C@@H](c2c1cccc2)c1ccccc1)C(C)C)c1ccccc1
• Title of publication: The asymmetric Bischler‒Napieralski reaction: preparation of 1,3,4-trisubstituted 1,2,3,4-tetrahydroisoquinolines
• Authors of publication: Marcello Nicoletti; David O'Hagan; Alexandra M. Z. Slawin
• Journal of publication: J. Chem. Soc., Perkin Trans. 1
• Year of publication: 2002
• Journal issue: 1
• Pages of publication: 116 - 121
• a: 9.4794 ± 0.0003 Å
• b: 10.2277 ± 0.0003 Å
• c: 19.5795 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1898.28 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No