Information card for entry 8106586

Structure parameters

• Formula: C15 H20 F N7 O2
• Calculated formula: C15 H20 F N7 O2
• Title of publication: Crystal structure of 2-(4-(dimethylamino)-2-fluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol monohydrate, C15H20FN7O2
• Authors of publication: Liu, Shao-Hua; Tang, Mi; Cheng, Li-Hua; Shen, Shi-Gang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 3
• Pages of publication: 505 - 506
• a: 5.8088 ± 0.0018 Å
• b: 11.667 ± 0.004 Å
• c: 13.104 ± 0.004 Å
• α: 68.724 ± 0.004°
• β: 84.66 ± 0.005°
• γ: 84.859 ± 0.004°
• Cell volume: 822.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0796
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No