Information card for entry 1513693

Structure parameters

• Formula: C38 H29 N O2
• Calculated formula: C38 H29 N O2
• SMILES: CCCCCCCCN1C(=O)c2c(C1=O)c1c3ccccc3c3c4c1c1c2c2ccccc2c2c1c4c(cc2)cc3
• Title of publication: A bowl-shaped molecule for organic field-effect transistors: crystal engineering and charge transport switching by oxygen doping
• Authors of publication: Shi, Ke; Lei, Ting; Wang, Xiao-Ye; Wang, Jie-Yu; Pei, Jian
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 1041
• a: 7.2711 ± 0.0003 Å
• b: 11.9307 ± 0.0005 Å
• c: 29.9623 ± 0.0013 Å
• α: 95.055 ± 0.003°
• β: 95.38 ± 0.004°
• γ: 95.045 ± 0.003°
• Cell volume: 2565.54 ± 0.19 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No