Information card for entry 7245989

Structure parameters

• Formula: C44 H35 N O4
• Calculated formula: C44 H35 N O4
• SMILES: O(C(=O)/C(=C/c1c(cc(c(c1)c1ccccc1)/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1)C(=O)OC)C
• Title of publication: Colour-tuneable solid-state fluorescence of crystalline powders formed from push–pull substituted 2,5-diphenyl-stilbenes
• Authors of publication: Pauk, Karel; Luňák, Stanislav; R°užička, Aleš; Marková, Aneta; Teichmanová, Kateřina; Mausová, Anna; Kratochvíl, Matouš; Smolka, Rastislav; Mikysek, Tomáš; Weiter, Martin; Imramovský, Aleš; Vala, Martin
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 54
• Pages of publication: 34797 - 34807
• a: 8.614 ± 0.002 Å
• b: 19.486 ± 0.004 Å
• c: 20.323 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3411.3 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0926
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No