Information card for entry 4505323

Structure parameters

• Formula: C128 H124 N12 O18
• Calculated formula: C128 H88 N12 O18
• Title of publication: Symmetry Mismatching as a Tool in the Synthesis of Complex Supramolecular Solids with Multiple Cavities
• Authors of publication: Ma, Bao-Qing; Coppens, Philip
• Journal of publication: Crystal Growth & Design
• Year of publication: 2004
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 211
• a: 39.852 ± 0.004 Å
• b: 38.196 ± 0.004 Å
• c: 15.095 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22977 ± 5 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.3401
• Residual factor for significantly intense reflections: 0.1465
• Weighted residual factors for significantly intense reflections: 0.3878
• Weighted residual factors for all reflections included in the refinement: 0.4787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No