Information card for entry 2108958

Structure parameters

• Formula: C24 H14 N4 O2 S
• Calculated formula: C24 H14 N4 O2 S
• Title of publication: A new linear phenyloxazole–benzothiadiazole luminophore: crystal growth, structure and fluorescence properties
• Authors of publication: Postnikov, Valery A.; Sorokina, Natalia I.; Kulishov, Artem A.; Lyasnikova, Maria S.; Sorokin, Timofei A.; Freidzon, Alexandra Ya.; Stepko, Anastasia S.; Borshchev, Oleg V.; Skorotetsky, Maxim S.; Surin, Nikolay M.; Svidchenko, Evgeniya A.; Ponomarenko, Sergey A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 2
• Pages of publication: 261 - 269
• a: 20.6752 ± 0.0012 Å
• b: 3.7474 ± 0.0001 Å
• c: 25.1061 ± 0.0015 Å
• α: 90 ± 0.003°
• β: 111.624 ± 0.006°
• γ: 90 ± 0.003°
• Cell volume: 1808.28 ± 0.18 ų
• Cell temperature: 95 ± 0.1 K
• Ambient diffraction temperature: 95 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections included in the refinement: 0.0427
• Goodness-of-fit parameter for significantly intense reflections: 1.77
• Goodness-of-fit parameter for all reflections included in the refinement: 1.42
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes