Information card for entry 4028024

Structure parameters

• Formula: C38 H38 O4
• Calculated formula: C38 H38 O4
• SMILES: c12c3cccc1OCCCCCCOc1c(c(ccc1)OCCCCCCO3)c1c3c(c2c2c1cccc2)cccc3
• 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: 17.131 ± 0.003 Å
• b: 18.112 ± 0.003 Å
• c: 19.066 ± 0.003 Å
• α: 90°
• β: 102.984 ± 0.002°
• γ: 90°
• Cell volume: 5764.5 ± 1.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No