Information card for entry 7115756

Structure parameters

• Formula: C32 H36 N2
• Calculated formula: C32 H36 N2
• SMILES: c1(C)c(c(cc(c1)C)C)c1cn(C)ccc1=CC=c1c(c2c(C)cc(C)cc2C)cn(C)cc1
• Title of publication: Synthesis and structural characterization of a C4 cumulene including 4-pyridylidene units, and its reactivity towards ammonia-borane
• Authors of publication: Di Wu; Yongxin Li; Rakesh Ganguly; Rei Kinjo
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 12378
• a: 23.7045 ± 0.0015 Å
• b: 23.7045 ± 0.0015 Å
• c: 11.91 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5795.7 ± 0.6 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No