Information card for entry 1558427

Structure parameters

• Formula: C34 H18
• Calculated formula: C34 H18
• SMILES: c12c3c4c5ccccc5c5c3c3c(c6c5cccc6)cccc3c2cccc1c1c4cccc1
• Title of publication: Build-Up of Double Carbohelicenes Using Nitroarenes: Dual Role of the Nitro Functionality as Activation and Leaving Group
• Authors of publication: Zhou, Fulin; Zhou, Fujian; Su, Rongchuan; Yang, Yudong; You, Jingsong
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 7.8468 ± 0.0006 Å
• b: 23.408 ± 0.002 Å
• c: 11.3681 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2088.1 ± 0.3 ų
• Cell temperature: 292.2 ± 0.5 K
• Ambient diffraction temperature: 292.2 ± 0.5 K
• Number of distinct elements: 2
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.2225
• Weighted residual factors for all reflections included in the refinement: 0.23
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No