Information card for entry 7112025

Structure parameters

• Common name: keinan-106 (Senthil)
• Formula: C30.25 H38.5 Cl0.5 N4 O2.5 S2
• Calculated formula: C30.25 H38.5 Cl0.5 N4 O2.5 S2
• 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: 27.239 ± 0.006 Å
• b: 14.56 ± 0.003 Å
• c: 19.951 ± 0.004 Å
• α: 90°
• β: 120.2 ± 0.03°
• γ: 90°
• Cell volume: 6839 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2504
• Weighted residual factors for all reflections included in the refinement: 0.2704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No