Information card for entry 4028025

Structure parameters

• Formula: C40 H42 O4
• Calculated formula: C40 H42 O4
• Title of publication: Double Alkylene-Strapped Diphenylanthracene as a Photostable and Intense Solid-State Blue-Emitting Material
• Authors of publication: Yutaka Fujiwara; Ryota Ozawa; Daiki Onuma; Kengo Suzuki; Kenji Yoza; Kenji Kobayashi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 2206 - 2212
• a: 15.4234 ± 0.0018 Å
• b: 15.0184 ± 0.0018 Å
• c: 14.9236 ± 0.0018 Å
• α: 90°
• β: 118.807 ± 0.001°
• γ: 90°
• Cell volume: 3029 ± 0.6 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0812
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No