Information card for entry 1555530

Structure parameters

• Formula: C38 H22
• Calculated formula: C38 H22
• SMILES: Cc1cc2c3ccc4cccc5c6c7ccc(C)cc7c7ccc8cccc9c(c2cc1)c(c3c45)c6c7c89
• 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: 17.4392 ± 0.0006 Å
• b: 7.3355 ± 0.0002 Å
• c: 17.5242 ± 0.0006 Å
• α: 90°
• β: 94.296 ± 0.003°
• γ: 90°
• Cell volume: 2235.49 ± 0.12 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: 0.06
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No