Information card for entry 7112023

Structure parameters

• Common name: Keinan-49 (Galit)
• Formula: C66 H94 N8 O6 S4
• Calculated formula: C66 H94 N8 O6 S4
• Title of publication: Multifarenes: new modular cavitands
• Authors of publication: Galit Parvari; Senthilmurugan Annamalai; Iris Borovoi; Helena Chechik; Mark Botoshansky; Doron Pappo; Ehud Keinan
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2494
• a: 21.716 ± 0.004 Å
• b: 12.428 ± 0.002 Å
• c: 27.774 ± 0.006 Å
• α: 90°
• β: 111.59 ± 0.03°
• γ: 90°
• Cell volume: 6970 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.2215
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.2294
• Weighted residual factors for all reflections included in the refinement: 0.2876
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No