Information card for entry 7062768

Structure parameters

• Formula: C58 H76 O6 S4
• Calculated formula: C58 H76 O6 S4
• Title of publication: Gallic acid-based dendrimers with a thiacalix[4]arene core: synthesis, aggregation and use for stabilization of Pd nanoparticles
• Authors of publication: Fatykhova, Aigul M.; Sultanova, Elza D.; Burilov, Vladimir A.; Gafiatullin, Bulat Kh.; Fedoseeva, Angelina A.; Veshta, Tatyana A.; Ziganshin, Marat A.; Ziganshina, Sufia A.; Evtugyn, Vladimir G.; Islamov, Daut R.; Usachev, Konstantin S.; Solovieva, Svetlana E.; Antipin, Igor S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 41
• Pages of publication: 19223 - 19234
• a: 13.14781 ± 0.00015 Å
• b: 26.9146 ± 0.0003 Å
• c: 15.17255 ± 0.00019 Å
• α: 90°
• β: 90.3359 ± 0.0011°
• γ: 90°
• Cell volume: 5368.99 ± 0.11 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• 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: 0.065
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No