Information card for entry 7234761

Structure parameters

• Formula: C20 H21 N O2 S
• Calculated formula: C20 H21 N O2 S
• Title of publication: Structural tuning enables piezochromic and photochemical properties in N-aryl-β-enaminones
• Authors of publication: Hsieh, Wan-Chi; Manjappa, Kiran B.; Yang, Ding-Yah
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 58
• Pages of publication: 34088
• a: 10.3776 ± 0.0004 Å
• b: 17.4561 ± 0.0005 Å
• c: 10.9103 ± 0.0004 Å
• α: 90°
• β: 117.674 ± 0.0013°
• γ: 90°
• Cell volume: 1750.33 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2513
• Weighted residual factors for all reflections included in the refinement: 0.257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No