Information card for entry 7115755

Structure parameters

• Formula: C32 H34 N2
• Calculated formula: C32 H34 N2
• SMILES: Cn1ccc(=C=C=c2ccn(C)cc2c2c(C)cc(C)cc2C)c(c1)c1c(C)cc(C)cc1C
• 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: 23.567 ± 0.003 Å
• b: 23.567 ± 0.003 Å
• c: 12.095 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5817.6 ± 1.2 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: 0.1762
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.239
• Weighted residual factors for all reflections included in the refinement: 0.304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No