Information card for entry 1553628

Structure parameters

• Formula: C32 H18 O
• Calculated formula: C32 H18 O
• SMILES: O1C2C3c4ccccc4C4c5ccccc5C=3C1C1=C2c2ccccc2C=4c2ccccc12
• Title of publication: From tetrabenzoheptafulvalene to sp2 carbon nano-rings
• Authors of publication: Cheung, Kwan Yin; Yang, Shuaijun; Miao, Qian
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 699
• a: 12.737 ± 0.003 Å
• b: 10.827 ± 0.003 Å
• c: 15.738 ± 0.004 Å
• α: 90°
• β: 105.708 ± 0.006°
• γ: 90°
• Cell volume: 2089.3 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.1793
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.2401
• Weighted residual factors for all reflections included in the refinement: 0.2908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No