Information card for entry 1555094

Structure parameters

• Formula: C76 H68 N8 O8
• Calculated formula: C76 H68.052 N8.052 O8
• Title of publication: Constructing bridged multifunctional calixarenes by intramolecular indole coupling
• Authors of publication: Bolshchikov, Boris; Volkov, Sergey; Sokolova, Daria; Gorbunov, Alexander; Serebryannikova, Alina; Gloriozov, Igor; Cheshkov, Dmitry; Bezzubov, Stanislav; Chung, Wen-Sheng; Kovalev, Vladimir; Vatsouro, Ivan
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 19
• Pages of publication: 3327
• a: 30.104 ± 0.003 Å
• b: 23.487 ± 0.002 Å
• c: 26.09 ± 0.004 Å
• α: 90°
• β: 121.557 ± 0.001°
• γ: 90°
• Cell volume: 15719 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2181
• Residual factor for significantly intense reflections: 0.164
• Weighted residual factors for significantly intense reflections: 0.3643
• Weighted residual factors for all reflections included in the refinement: 0.3949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No