Information card for entry 7231592

Structure parameters

• Chemical name: co-crystal of naproxen and 1,3-Bis(4-pyridyl)propane
• Formula: C41 H42 N2 O6
• Calculated formula: C41 H42 N2 O6
• Title of publication: Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown
• Authors of publication: Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 41
• Pages of publication: 6377
• a: 35.567 ± 0.008 Å
• b: 5.7333 ± 0.0015 Å
• c: 33.199 ± 0.008 Å
• α: 90°
• β: 91.732 ± 0.004°
• γ: 90°
• Cell volume: 6767 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No