Information card for entry 2239903

Structure parameters

• Common name: [Propane-1,3-diylbis(piperidine-4,1-diyl)]bis[(pyridin-4-yl)methanone]‒4,4'-oxydibenzoic acid (1/1)
• Chemical name: 4-{[4-(3-{1-[(pyridin-4-yl)carbonyl]piperidin-4-yl}propyl)piperidin-1-yl]carbonyl}pyridine‒4,4'-oxydibenzoic acid (1/1)
• Formula: C39 H42 N4 O7
• Calculated formula: C39 H42 N4 O7
• Title of publication: Crystal structure of [propane-1,3-diylbis(piperidine-4,1-diyl)]bis[(pyridin-4-yl)methanone]‒4,4'-oxydibenzoic acid (1/1)
• Authors of publication: Low, Emily M.; LaDuca, Robert L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o1022
• a: 16.032 ± 0.004 Å
• b: 12.605 ± 0.004 Å
• c: 17.259 ± 0.005 Å
• α: 90°
• β: 99.033 ± 0.007°
• γ: 90°
• Cell volume: 3444.5 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes