Information card for entry 7102564

Structure parameters

• Formula: C168 H172 N12 O26
• Calculated formula: C168 H172.02 N12 O26
• Title of publication: Symmetry induced supramolecular assembly of a resorcinarene trimeric molecular box.
• Authors of publication: Ma, Bao-Qing; Coppens, Philip
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 932 - 933
• a: 22.9483 ± 0.0011 Å
• b: 22.9483 ± 0.0011 Å
• c: 16.198 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7387.4 ± 0.7 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 4
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.1096
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No