Information card for entry 7056734

Structure parameters

• Formula: C31 H19 N2 O2
• Calculated formula: C31 H19 N2 O2
• 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: 10.399 ± 0.002 Å
• b: 10.919 ± 0.002 Å
• c: 11.408 ± 0.002 Å
• α: 80.9 ± 0.03°
• β: 72.01 ± 0.03°
• γ: 68.39 ± 0.03°
• Cell volume: 1144 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1425
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No