Information card for entry 7231551

Structure parameters

• Formula: C84 H80 O8
• Calculated formula: C84 H80 O8
• Title of publication: Calixarene alpha-ketoacetylenes: versatile platforms for reaction with hydrazine nucleophile
• Authors of publication: Muravev, Anton A.; Solovieva, Svetlana E.; Galieva, Farida B.; Bazanova, Olga B.; Rizvanov, Ildar Kh.; Ivshin, Kamil A.; Kataeva, Olga N.; Matthews, Susan E.; Antipin, Igor S.
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 57
• Pages of publication: 32765
• a: 13.045 ± 0.0004 Å
• b: 13.045 ± 0.0004 Å
• c: 40.2669 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6852.3 ± 0.4 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No