Information card for entry 7111342

Structure parameters

• Chemical name: (2a)
• Formula: C49 H59 Cl2 N9 O3
• Calculated formula: C48.99 H58.98 Cl1.98 N9 O3
• 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: 13.5462 ± 0.0004 Å
• b: 13.5462 ± 0.0004 Å
• c: 14.8813 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2364.87 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.1258
• Weighted residual factors for significantly intense reflections: 0.253
• Weighted residual factors for all reflections included in the refinement: 0.2532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No