Information card for entry 7237063

Structure parameters

• Formula: C39 H29 O
• Calculated formula: C39 H29 O
• Title of publication: Oxidation of rubrene, and implications for device stability
• Authors of publication: Ly, Jack T.; Lopez, Steven A.; Lin, Janice B.; Kim, Jae Joon; Lee, Hyunbok; Burnett, Edmund K.; Zhang, Lei; Aspuru-Guzik, Alán; Houk, K. N.; Briseno, Alejandro L.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 14
• Pages of publication: 3757
• a: 9.6112 ± 0.0001 Å
• b: 11.7137 ± 0.0002 Å
• c: 13.927 ± 0.0002 Å
• α: 107.974 ± 0.0008°
• β: 106.671 ± 0.0007°
• γ: 100.746 ± 0.0008°
• Cell volume: 1362.13 ± 0.04 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.071
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No