Information card for entry 7111200

Structure parameters

• Formula: C47 H50 Br N O8
• Calculated formula: C47 H50 Br N O8
• Title of publication: Synthesis of mixed heterocalixarenes from benzofuranyl methanols and activated indoles
• Authors of publication: Black, David StC; Craig, Donald C.; Rezaie, Robert
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 810
• a: 14.222 ± 0.004 Å
• b: 23.339 ± 0.004 Å
• c: 13.043 ± 0.004 Å
• α: 90°
• β: 106.52 ± 0.01°
• γ: 90°
• Cell volume: 4150.6 ± 1.9 ų
• Cell temperature: 294 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 significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 2.57
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No