Information card for entry 7056735

Structure parameters

• Formula: C30 H17 N2 O
• Calculated formula: C30 H17 N2 O
• Title of publication: Studying the fluorescence conversion in organic charge transfer cocrystals of chalcone derivatives and TCNB
• Authors of publication: Zhao, Kun; Wang, Huimin; Sun, Hao; Tian, Wen; Yang, Shanguang; Liu, Jingjing; Peng, Jing; Wang, Mingliang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2017
• a: 11.815 ± 0.002 Å
• b: 10.38 ± 0.002 Å
• c: 17.887 ± 0.004 Å
• α: 90°
• β: 99.44 ± 0.03°
• γ: 90°
• Cell volume: 2163.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.2
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.2059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No