Information card for entry 1555531

Structure parameters

• Formula: C36 H18
• Calculated formula: C36 H18
• SMILES: c12c3c4ccccc4c4ccc5cccc(c1c1c6ccccc6c6ccc7cccc2c7c16)c5c34
• Title of publication: Dinaphthozethrene and Diindenozethrene: Synthesis, Structural Analysis, and Properties.
• Authors of publication: Hsieh, Ya-Chu; Wu, Tsun-Cheng; Li, Jen-Yi; Chen, Yi-Ting; Kuo, Ming-Yu; Chou, Pi-Tai; Wu, Yao-Ting
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 1868 - 1871
• a: 12.7866 ± 0.0005 Å
• b: 3.9237 ± 0.0001 Å
• c: 42.438 ± 0.0015 Å
• α: 90°
• β: 95.156 ± 0.003°
• γ: 90°
• Cell volume: 2120.53 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No