Information card for entry 1550902

Structure parameters

• Formula: C38 H26
• Calculated formula: C38 H26
• SMILES: c1(c(c2c3c(c(ccc3ccc2cc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Synthesis of Sterically Hindered 4,5-Diarylphenanthrenes via Acid-catalyzed Bisannulation of Benzenediacetaldehydes with Alkynes
• Authors of publication: Li, Yuanming; Yagi, Akiko; Itami, Kenichiro
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 8.9305 ± 0.0002 Å
• b: 16.0425 ± 0.0003 Å
• c: 18.2272 ± 0.0003 Å
• α: 90°
• β: 101.302 ± 0.0019°
• γ: 90°
• Cell volume: 2560.73 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 2
• 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: 0.0371
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No