Information card for entry 7201401

Structure parameters

• Formula: C37 H38 N6 O S2
• Calculated formula: C37 H34 N6 O S2
• Title of publication: An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding
• Authors of publication: Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2268
• a: 18.946 ± 0.004 Å
• b: 8.8906 ± 0.0018 Å
• c: 20.698 ± 0.004 Å
• α: 90°
• β: 104.51 ± 0.03°
• γ: 90°
• Cell volume: 3375.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0625
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No