Information card for entry 2004837

Structure parameters

• Common name: 4,4-Dibenzyl-1,4-dihydroisoquinoline
• Chemical name: 4,4-Dibenzyl-1,4-dihydroisoquinoline
• Formula: C23 H21 N
• Calculated formula: C23 H21 N
• SMILES: N1=CC(c2ccccc2C1)(Cc1ccccc1)Cc1ccccc1
• Title of publication: 4,4-Dibenzyl-1,4-dihydroisoquinoline
• Authors of publication: Minter, D. E.; Hinkle, K. W.; Krawiec, M.; Watson, W. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1236 - 1238
• a: 14.891 ± 0.002 Å
• b: 7.3102 ± 0.0011 Å
• c: 16.1682 ± 0.001 Å
• α: 90°
• β: 92.38 ± 0.007°
• γ: 90°
• Cell volume: 1758.5 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• 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: 0.0603
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.1022
• Goodness-of-fit parameter for all reflections: 2.26
• Goodness-of-fit parameter for significantly intense reflections: 2.26
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No