Information card for entry 7246197

Structure parameters

• Formula: C31 H24 O4
• Calculated formula: C31 H24 O4
• SMILES: OC(=O)c1ccc(/C=C/c2c3c(c(c4c2cccc4)c2cc(OC)ccc2OC)cccc3)cc1
• 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: 15.2306 ± 0.0002 Å
• b: 33.5647 ± 0.0005 Å
• c: 9.1666 ± 0.0001 Å
• α: 90°
• β: 93.316 ± 0.001°
• γ: 90°
• Cell volume: 4678.22 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No