Information card for entry 7226203

Structure parameters

• Formula: C19 H12 O2 S
• Calculated formula: C19 H12 O2 S
• SMILES: O=C(C)c1sc(cc1)c1cc2C(=O)c3ccccc3c2cc1
• Title of publication: Symmetric and unsymmetric thienyl-substituted fluorenone dyes: static excimer-induced emission enhancement
• Authors of publication: Xu, Fan; Yuan, Maosen; Wang, Wenji; Du, Xianchao; Wang, Hui; Li, Na; Yu, Ruijin; Du, Zhenting; Wang, Jinyi
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 6.109 ± 0.0006 Å
• b: 7.6441 ± 0.0007 Å
• c: 15.5179 ± 0.0014 Å
• α: 98.759 ± 0.002°
• β: 99.355 ± 0.002°
• γ: 96.627 ± 0.001°
• Cell volume: 699.34 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1303
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.269
• Weighted residual factors for all reflections included in the refinement: 0.2914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No