Information card for entry 7246194

Structure parameters

• Formula: C27 H18 O2 S
• Calculated formula: C27 H18 O2 S
• Title of publication: Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters
• Authors of publication: Chakraborty, Madhuparna; Chakravarty, Manab
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 1126 - 1135
• a: 9.2745 ± 0.0002 Å
• b: 9.8947 ± 0.0002 Å
• c: 13.565 ± 0.0002 Å
• α: 83.663 ± 0.001°
• β: 81.113 ± 0.002°
• γ: 72.576 ± 0.002°
• Cell volume: 1170.74 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0426
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No