Information card for entry 4037424

Structure parameters

• Formula: C23 H22 N2
• Calculated formula: C23 H22 N2
• SMILES: n1ccc(N(C)C)c2[C@@H]3c4ccccc4[C@H](c12)Cc1c(C3)cccc1.n1ccc(N(C)C)c2[C@H]3c4ccccc4[C@@H](c12)Cc1c(C3)cccc1
• Title of publication: Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.
• Authors of publication: Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 23
• Pages of publication: 11819 - 11830
• a: 13.9423 ± 0.0004 Å
• b: 12.4203 ± 0.0004 Å
• c: 10.2736 ± 0.0003 Å
• α: 90°
• β: 93.61 ± 0.0015°
• γ: 90°
• Cell volume: 1775.52 ± 0.09 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2091
• Weighted residual factors for all reflections included in the refinement: 0.2908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No