Information card for entry 7227542

Structure parameters

• Chemical name: 3-(9-anthryl)-1-(4-chloro) prop-2-en-1-one
• Formula: C23 H15 Cl O
• Calculated formula: C23 H15 Cl O
• SMILES: Clc1ccc(C(=O)/C=C/c2c3ccccc3cc3ccccc23)cc1
• Title of publication: Tuning the solid-state fluorescence of chalcone crystals via molecular coplanarity and J-aggregate formation
• Authors of publication: Yu, Fangfang; Wang, Mingliang; Sun, Hao; Shan, Yaqi; Du, Man; Khan, Arshad; Usman, Rabia; Zhang, Wei; Shan, Hongbin; Xu, Chunxiang
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 14
• Pages of publication: 8491
• a: 5.432 ± 0.0011 Å
• b: 19.431 ± 0.004 Å
• c: 16.208 ± 0.003 Å
• α: 90°
• β: 95.65 ± 0.03°
• γ: 90°
• Cell volume: 1702.4 ± 0.6 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: 0.198
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No