Information card for entry 7111199

Structure parameters

• Formula: C48 H52 Br Cl2 N O8
• Calculated formula: C48 H52 Br Cl2 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: 31.59 ± 0.005 Å
• b: 14.915 ± 0.004 Å
• c: 19.093 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8996 ± 3 ų
• Cell temperature: 294 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 3.29
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No