Information card for entry 7224202

Structure parameters

• Chemical name: 25,27-Di[(hydrazinocarbonyl)methoxy]-26,28-di[(ethoxycarbonyl)methoxy]-2,8,14,20-tetrathiacalix[4]arene
• Formula: C36 H36 N4 O10 S4
• Calculated formula: C36 H36 N4 O10 S4
• 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: 9.9936 ± 0.0009 Å
• b: 18.4615 ± 0.0015 Å
• c: 20.6801 ± 0.0017 Å
• α: 90°
• β: 94.046 ± 0.005°
• γ: 90°
• Cell volume: 3805.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1632
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No