Information card for entry 7107129

Structure parameters

• Formula: C34 H22 O4
• Calculated formula: C34 H22 O4
• SMILES: c12ccc(C(c3ccccc3)=c3oc(cc3)=CC=c3ccc(=C(c4ccccc4)c4oc(cc4)C=C2)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: 13.091 ± 0.003 Å
• b: 9.1718 ± 0.0012 Å
• c: 10.744 ± 0.002 Å
• α: 90°
• β: 107.03 ± 0.02°
• γ: 90°
• Cell volume: 1233.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No