Information card for entry 4512443

Structure parameters

• Formula: C34 H20 O4
• Calculated formula: C34 H20 O4
• Title of publication: Characterization of New Rubrene Analogues with Heteroaryl Substituents
• Authors of publication: Mamada, Masashi; Katagiri, Hiroshi; Sakanoue, Tomo; Tokito, Shizuo
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 442
• a: 10.553 ± 0.003 Å
• b: 11.34 ± 0.003 Å
• c: 16.568 ± 0.006 Å
• α: 83.481 ± 0.013°
• β: 89.45 ± 0.015°
• γ: 64.275 ± 0.001°
• Cell volume: 1772.9 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No