Information card for entry 7127649

Structure parameters

• Formula: C25 H28 N2 O3
• Calculated formula: C25 H28 N2 O3
• SMILES: Oc1c(cc2c(c1)c1ccc(cc1C2(C)C)C1OCC(N=1)(C)C)C1OCC(N=1)(C)C
• Title of publication: Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores.
• Authors of publication: Göbel, Dominik; Rusch, Pascal; Duvinage, Daniel; Bigall, Nadja C.; Nachtsheim, Boris J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 98
• Pages of publication: 15430 - 15433
• a: 10.1266 ± 0.0004 Å
• b: 21.0008 ± 0.0009 Å
• c: 10.2483 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2179.47 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No