Information card for entry 1505077

Structure parameters

• Formula: C33 H32 O S2
• Calculated formula: C33 H32 O S2
• SMILES: CC(C)(C)Sc1ccc(cc1)c1ccc2c(c1)C(=O)c1c2ccc(c1)c1ccc(cc1)SC(C)(C)C
• Title of publication: Intermolecular Hydrogen Bonds Induce Highly Emissive Excimers: Enhancement of Solid-State Luminescence
• Authors of publication: Liu, Y.; Tao, X.; Wang, F.; Shi, J.; Sun, J.; Yu, W.; Ren, Y.; Zou, D.; Jiang, M.
• Journal of publication: Journal of Physical Chemistry C
• Year of publication: 2007
• Journal volume: 111
• Journal issue: 17
• Pages of publication: 6544
• a: 44.525 ± 0.002 Å
• b: 6.2063 ± 0.0003 Å
• c: 19.6664 ± 0.0009 Å
• α: 90°
• β: 92.087 ± 0.003°
• γ: 90°
• Cell volume: 5430.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2546
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No