Information card for entry 4037426

Structure parameters

• Formula: C23 H21 N O2
• Calculated formula: C23 H21 N O2
• SMILES: O(c1cc2C[C@H]3c4cccnc4[C@H](c4ccccc34)Cc2cc1OC)C
• 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: 8.4704 ± 0.0003 Å
• b: 12.2155 ± 0.0004 Å
• c: 16.9196 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1750.67 ± 0.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No