Information card for entry 7153516

Structure parameters

• Formula: C42.5 H52 Cl1.5 N12 O4
• Calculated formula: C42.5 H52 Cl1.5 N12 O4
• Title of publication: New Rebek imide-type receptors for adenine featuring acetylene-linked ?-stacking platformsElectronic supplementary information (ESI) available: synthetic protocols, binding studies and Job plot analysis. See http://www.rsc.org/suppdata/ob/b4/b404311a/.
• Authors of publication: Faraoni, Raffaella; Blanzat, Muriel; Kubicek, Stefan; Braun, Christophe; Schweizer, W. Bernd; Gramlich, Volker; Diederich, Fran�ois
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 14
• Pages of publication: 1962 - 1964
• a: 7.6166 ± 0.0003 Å
• b: 16.8616 ± 0.0008 Å
• c: 17.8082 ± 0.0007 Å
• α: 88.088 ± 0.003°
• β: 81.177 ± 0.003°
• γ: 77.664 ± 0.002°
• Cell volume: 2207.83 ± 0.16 ų
• Cell temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.2208
• Weighted residual factors for all reflections included in the refinement: 0.2353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.622
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No