Information card for entry 4025730

Structure parameters

• Formula: C32 H32 N2
• Calculated formula: C32 H32 N2
• SMILES: N1([C@@H]([C@H](C(=N\c2ccccc2)/c2ccccc12)CCCC)c1ccccc1)Cc1ccccc1.N1([C@H]([C@@H](C(=N\c2ccccc2)/c2ccccc12)CCCC)c1ccccc1)Cc1ccccc1
• Title of publication: Tandem Synthesis of 2,3-Dihydro-4-iminoquinolines via Three-Component Alkyne-Imine Metathesis
• Authors of publication: Akio Saito; Jun Kasai; Tomoyo Konishi; Yuji Hanzawa
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 6980 - 6982
• a: 9.5092 ± 0.0003 Å
• b: 12.9612 ± 0.0004 Å
• c: 19.9169 ± 0.0006 Å
• α: 90°
• β: 90.0511 ± 0.0018°
• γ: 90°
• Cell volume: 2454.77 ± 0.13 ų
• Cell temperature: 93 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No