Information card for entry 1550901

Structure parameters

• Formula: C34 H34
• Calculated formula: C34 H34
• SMILES: c1c2c(c(ccc2)c2ccc(cc2)C(C)(C)C)c2c(c1)cccc2c1ccc(cc1)C(C)(C)C
• 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: 14.0303 ± 0.0019 Å
• b: 23.979 ± 0.004 Å
• c: 7.3735 ± 0.0011 Å
• α: 90°
• β: 94.442 ± 0.004°
• γ: 90°
• Cell volume: 2473.2 ± 0.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No