Information card for entry 7224198

Structure parameters

• Chemical name: 5,11,17,23-Tetra-tert-butyl-25,27-di[(hydrazinocarbonyl)methoxy]-26,28-di[(hydroxycarbonyl)methoxy]- 2,8,14,20-tetrathiacalix[4]arene
• Formula: C50 H66 N4 O11 S5
• Calculated formula: C50 H66 N4 O11 S5
• Title of publication: Synthesis, structure and coordinating properties of novel bifunctional carboxylic derivatives of 1,3-alternate tetrathiacalix[4]arene
• Authors of publication: Podyachev, Sergey Nicolaevich; Gimazetdinova, Gulnaz; Gubaidullin, Aidar Timergalievich; Syakaev, Victor Vasil'evich; Sudakova, Svetlana; Gabidullin, Bulat; Ivanov, Vladimir Timofeevich; Gogolashvili, Edward Lavrentievich; Konovalov, Alexander Ivanovich
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 13.163 ± 0.005 Å
• b: 29.199 ± 0.011 Å
• c: 15.137 ± 0.005 Å
• α: 90°
• β: 91.473 ± 0.005°
• γ: 90°
• Cell volume: 5816 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.2629
• Residual factor for significantly intense reflections: 0.1075
• Weighted residual factors for significantly intense reflections: 0.2694
• Weighted residual factors for all reflections included in the refinement: 0.3323
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No