Information card for entry 4038139

Structure parameters

• Formula: C29 H27 N3
• Calculated formula: C29 H27 N3
• SMILES: c1(cccn1Cc1ccccc1)Cc1cncc(c1)Cc1cccn1Cc1ccccc1
• Title of publication: One-Pot Amberlyst 15-Controlled Cyclocondensation of Piperidines and Arylaldehydes. Synthesis of 3,5-Diarylmethyl Pyridines.
• Authors of publication: Chang, Meng-Yang; Tsai, Yu-Lin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 6.2091 ± 0.0007 Å
• b: 11.431 ± 0.0014 Å
• c: 31.863 ± 0.004 Å
• α: 90°
• β: 94.557 ± 0.004°
• γ: 90°
• Cell volume: 2254.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No