Information card for entry 7249749

Structure parameters

• Formula: C26 H28 Cl2 F3 N7 O4
• Calculated formula: C26 H28 Cl2 F3 N7 O4
• Title of publication: Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability
• Authors of publication: Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 820 - 832
• a: 10.7304 ± 0.0009 Å
• b: 11.1991 ± 0.0009 Å
• c: 12.3605 ± 0.0008 Å
• α: 93.057 ± 0.006°
• β: 96.405 ± 0.006°
• γ: 99.535 ± 0.007°
• Cell volume: 1451.8 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0501
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No