Information card for entry 1503022

Structure parameters

• Formula: C30 H29 N
• Calculated formula: C30 H29 N
• SMILES: N(C(=C(c1ccccc1)\CC)/c1ccccc1)(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Copper-catalyzed amination of alkenyl halides: efficient method for the synthesis of enamines.
• Authors of publication: Wang, Yuxing; Liao, Qian; Xi, Chanjuan
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 13
• Pages of publication: 2951 - 2953
• a: 18.025 ± 0.004 Å
• b: 12.343 ± 0.003 Å
• c: 12.143 ± 0.002 Å
• α: 90°
• β: 120.46 ± 0.03°
• γ: 90°
• Cell volume: 2328.7 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No