Information card for entry 1513727

Structure parameters

• Formula: C42 H34
• Calculated formula: C42 H34
• SMILES: c1(c2c(c3c1cccc3)c1c(c3c4c(c(c23)c2c(cc(cc2C)C)C)cccc4)cccc1)c1c(cc(cc1C)C)C
• Title of publication: Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame
• Authors of publication: Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 163
• a: 14.515 ± 0.002 Å
• b: 15.214 ± 0.002 Å
• c: 13.3114 ± 0.0017 Å
• α: 90°
• β: 99.134 ± 0.003°
• γ: 90°
• Cell volume: 2902.3 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No