Information card for entry 7059947

Structure parameters

• Formula: C12 H13 F3 N2 O2
• Calculated formula: C12 H13 F3 N2 O2
• Title of publication: Identification of morpholine based hydroxylamine analogues: selective inhibitors of MARK4/Par-1d causing cancer cell death through apoptosis
• Authors of publication: Peerzada, Mudasir Nabi; Khan, Parvez; Khan, Nashrah Sharif; Gaur, Aysha; Avecilla, Fernando; Hassan, Md. Imtaiyaz; Azam, Amir
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 38
• Pages of publication: 16626 - 16637
• a: 7.2135 ± 0.0009 Å
• b: 9.5319 ± 0.001 Å
• c: 9.6366 ± 0.0011 Å
• α: 84.67 ± 0.004°
• β: 68.742 ± 0.004°
• γ: 82.721 ± 0.004°
• Cell volume: 611.74 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0663
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No