Information card for entry 7234621

Structure parameters

• Formula: C26 H14 N4 O
• Calculated formula: C26 H14 N4 O
• Title of publication: Two-component molecular cocrystals of 9-acetylanthracene with highly tunable one-/two-photon fluorescence and aggregation induced emission
• Authors of publication: Shuzhen Li; Yanjun Lin; Dongpeng Yan
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 2527 - 2534
• a: 14.4098 ± 0.0014 Å
• b: 8.1627 ± 0.0006 Å
• c: 17.1171 ± 0.0011 Å
• α: 90°
• β: 95.71 ± 0.007°
• γ: 90°
• Cell volume: 2003.4 ± 0.3 ų
• Cell temperature: 100.6 K
• Ambient diffraction temperature: 100.6 K
• Number of distinct elements: 4
• 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: 0.0978
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No