Information card for entry 7107130

Structure parameters

• Formula: C36 H26 O4
• Calculated formula: C36 H26 O4
• SMILES: c12ccc(C(c3ccc(C)cc3)=c3ccc(o3)=CC=c3ccc(=C(c4ccc(o4)C=C2)c2ccc(C)cc2)o3)o1
• Title of publication: Oxygen bridged neutral annulenes: a novel class of materials for organic field-effect transistors
• Authors of publication: Kamaljit Singh; Tarunpreet Singh Virk; Jing Zhang; Wei Xu; Daoben Zhu
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 121
• a: 34.541 ± 0.002 Å
• b: 9.5379 ± 0.0007 Å
• c: 7.8246 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2577.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No