Information card for entry 1504562

Structure parameters

• Formula: C30 H27 N O2
• Calculated formula: C30 H27 N O2
• SMILES: c1cccc2c3cc4oc5ccccc5c4cc3n(c12)c1ccc(cc1)OCCCCCC
• Title of publication: Synthesis, structures, and properties of unsymmetrical heteroacenes containing both pyrrole and furan rings.
• Authors of publication: Kawaguchi, Keiko; Nakano, Koji; Nozaki, Kyoko
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 1199 - 1202
• a: 7.413 ± 0.009 Å
• b: 9.666 ± 0.012 Å
• c: 16.569 ± 0.018 Å
• α: 95.87 ± 0.02°
• β: 93.44 ± 0.02°
• γ: 105.96 ± 0.02°
• Cell volume: 1131 ± 2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0707
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No