Information card for entry 7057613

Structure parameters

• Formula: C34 H35 F N2 O4
• Calculated formula: C34 H35 F N2 O4
• 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: 8.735 ± 0.002 Å
• b: 27.547 ± 0.006 Å
• c: 12.463 ± 0.003 Å
• α: 90°
• β: 94.484 ± 0.007°
• γ: 90°
• Cell volume: 2989.7 ± 1.2 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: 0.2199
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No