Information card for entry 7127652

Structure parameters

• Formula: C23 H18 Br Cl2 N O2
• Calculated formula: C23 H18 Br Cl2 N O2
• 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: 8.7249 ± 0.0003 Å
• b: 9.7643 ± 0.0003 Å
• c: 13.4767 ± 0.0005 Å
• α: 90.141 ± 0.001°
• β: 106.286 ± 0.001°
• γ: 112.456 ± 0.001°
• Cell volume: 1010.68 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No