Information card for entry 4515402

Structure parameters

• Formula: C18 H12 N2 O
• Calculated formula: C18 H12 N2 O
• Title of publication: Rationally Developed Metallogelators Derived from Pyridyl Derivatives of NSAIDs Displaying Anti-Inflammatory and Anticancer Activities.
• Authors of publication: Sarkar, Koushik; Khasimbi, Shaik; Mandal, Souvik; Dastidar, Parthasarathi
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 36
• Pages of publication: 30649 - 30661
• a: 10.597 ± 0.005 Å
• b: 11.931 ± 0.005 Å
• c: 27.145 ± 0.012 Å
• α: 90.52 ± 0.03°
• β: 90.72 ± 0.03°
• γ: 98.25 ± 0.03°
• Cell volume: 3396 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.01 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1421
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.2251
• Weighted residual factors for all reflections included in the refinement: 0.2746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No