Information card for entry 4117567

Structure parameters

• Formula: C30 H26 N2
• Calculated formula: C30 H26 N2
• SMILES: C1[C@H]2[C@H](c3ccccc3)N=C(c3ccccc3)N2CC1(c1ccccc1)c1ccccc1.C1[C@@H]2[C@@H](c3ccccc3)N=C(c3ccccc3)N2CC1(c1ccccc1)c1ccccc1
• Title of publication: Copper-Catalyzed Aerobic [3+2]-Annulation of N-Alkenyl Amidines
• Authors of publication: Yi-Feng Wang; Xu Zhu; Shunsuke Chiba
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 3679 - 3682
• a: 10.2686 ± 0.0006 Å
• b: 10.9392 ± 0.0007 Å
• c: 11.3165 ± 0.0006 Å
• α: 97.256 ± 0.001°
• β: 116.195 ± 0.001°
• γ: 102.462 ± 0.001°
• Cell volume: 1077.56 ± 0.11 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No