Information card for entry 7124151

Structure parameters

• Chemical name: 2-Propyl-4-(pyren-1-yl)thiophene
• Formula: C23 H18 S
• Calculated formula: C23 H18 S
• Title of publication: Tunable mechanochromic luminescence of 2-alkyl-4-(pyren-1-yl)thiophenes: Controlling the self-recovering properties and the range of chromism
• Authors of publication: Ikeya, Minako; Katada, Genki; Ito, Suguru
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.65747 ± 0.00011 Å
• b: 14.0292 ± 0.0002 Å
• c: 15.4998 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1665.12 ± 0.04 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No