Information card for entry 1504563

Structure parameters

• Formula: C34 H35 N O2
• Calculated formula: C34 H35 N O2
• SMILES: c1cccc2c3cc4oc5ccccc5c4cc3n(c12)c1ccc(cc1)OCCCCCCCCCC
• 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: 7.456 ± 0.004 Å
• b: 9.716 ± 0.005 Å
• c: 19.358 ± 0.01 Å
• α: 79.59 ± 0.02°
• β: 80.19 ± 0.02°
• γ: 73.716 ± 0.02°
• Cell volume: 1313.2 ± 1.2 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: 0.0764
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No