Information card for entry 4038007

Structure parameters

• Formula: C26 H19 N
• Calculated formula: C26 H19 N
• SMILES: n1ccc(cc1)C#CC(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.
• Authors of publication: Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 8.6005 ± 0.0001 Å
• b: 17.6009 ± 0.0003 Å
• c: 12.3829 ± 0.0002 Å
• α: 90°
• β: 102.32 ± 0.001°
• γ: 90°
• Cell volume: 1831.31 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No