Information card for entry 7111344

Structure parameters

• Chemical name: (2e and phloroglucinol)
• Formula: C71 H79 Cl4 N15 O6
• Calculated formula: C70.98 H78.96 Cl3.96 N15 O6
• Title of publication: A C3-symmetric molecular scaffold for the construction of large receptors
• Authors of publication: Haberhauer, Gebhard; Oeser, Thomas; Rominger, Frank
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 18
• Pages of publication: 2044 - 2045
• a: 12.9951 ± 0.0005 Å
• b: 12.9951 ± 0.0005 Å
• c: 40.694 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5951.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No