Information card for entry 4133201

Structure parameters

• Formula: C27 H20 O3
• Calculated formula: C27 H20 O3
• Title of publication: 5,14-Diaryldiindeno[2,1- f:1',2' -j]picene: A New Stable [7]Helicene with a Partial Biradical Character.
• Authors of publication: Hsieh, Ya-Chu; Wu, Cheng-Feng; Chen, Yi-Ting; Fang, Chia-Te; Wang, Chi-Shin; Li, Chia-Hsin; Chen, Liang-Yu; Cheng, Mu-Jeng; Chueh, Chu-Chen; Chou, Pi-Tai; Wu, Yao-Ting
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 43
• Pages of publication: 14357 - 14366
• a: 12.8513 ± 0.001 Å
• b: 62.643 ± 0.006 Å
• c: 9.5148 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7659.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No