Information card for entry 7246196

Structure parameters

• Formula: C32 H26 O4
• Calculated formula: C32 H26 O4
• SMILES: O(C(=O)c1ccc(cc1)/C=C/c1c2c(c(c3c(OC)ccc(OC)c3)c3c1cccc3)cccc2)C
• 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: 12.0602 ± 0.0004 Å
• b: 8.4487 ± 0.0003 Å
• c: 23.7592 ± 0.0008 Å
• α: 90°
• β: 92.455 ± 0.003°
• γ: 90°
• Cell volume: 2418.67 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1984
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No