Information card for entry 1555979

Structure parameters

• Formula: C34 H34
• Calculated formula: C34 H34
• SMILES: Cc1cc2c3c(c(c4ccccc4C)c(c2c(c1C)C)c1ccccc1C)c(c(c(c3)C)C)C
• Title of publication: Rotation of Aryl Groups in 9,10-Diarylphenanthrenes: Does the Rotational Barrier Become Lower as the Backbone Becomes More Crowded?
• Authors of publication: Li, Jen-Yi; Chang, Hung-Ing; Feng, Chieh-Ning; Wu, Yao-Ting
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 24
• Pages of publication: 6444 - 6447
• a: 10.724 ± 0.001 Å
• b: 14.6596 ± 0.0014 Å
• c: 15.9412 ± 0.0015 Å
• α: 90°
• β: 106.043 ± 0.002°
• γ: 90°
• Cell volume: 2408.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0621
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No