Information card for entry 7057611

Structure parameters

• Formula: C31 H33 F N2 O5
• Calculated formula: C31 H33 F N2 O5
• Title of publication: Structural and computational insights into the enhanced solubility of dipfluzine by complexation: salt and salt-cocrystal
• Authors of publication: Guo, Wei; Du, Shuang; Lin, Yulong; Lu, Bo; Yang, Caiqin; Wang, Jing; Zeng, Yanli
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 18
• Pages of publication: 15068
• a: 22.601 ± 0.008 Å
• b: 10.967 ± 0.004 Å
• c: 11.29 ± 0.004 Å
• α: 90°
• β: 92.377 ± 0.011°
• γ: 90°
• Cell volume: 2796 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1698
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.2103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No