Information card for entry 1507505

Structure parameters

• Formula: C71 H84 N6 O9
• Calculated formula: C71 H88 N6 O9
• Title of publication: Selective Binding ofcis-1,3,5-Cyclohexane Tricarboxylic Acid vs Its EpimerictransIsomer by a Tripodal Amidopyridine Receptor; Crystal Structures of the 1:1 Complexes
• Authors of publication: Ballester, Pablo; Capó, Magdalena; Costa, Antoni; Deyà, Pere M.; Gomila, Rosa; Decken, Andreas; Deslongchamps, Ghislain
• Journal of publication: Organic Letters
• Year of publication: 2001
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 267
• a: 17.264 ± 0.002 Å
• b: 29.223 ± 0.003 Å
• c: 28.645 ± 0.003 Å
• α: 90°
• β: 95.776 ± 0.004°
• γ: 90°
• Cell volume: 14378 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.3265
• Residual factor for significantly intense reflections: 0.12
• Weighted residual factors for all reflections: 0.4491
• Weighted residual factors for significantly intense reflections: 0.3098
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.324
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No