Information card for entry 7248302

Structure parameters

• Formula: C72 H72 Cl2 F2 N8 O18
• Calculated formula: C72 H72 Cl2 F2 N8 O18
• Title of publication: Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility
• Authors of publication: Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 2112 - 2122
• a: 14.4516 ± 0.0001 Å
• b: 18.0004 ± 0.0001 Å
• c: 26.7026 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6946.27 ± 0.08 ų
• Cell temperature: 301.92 ± 0.14 K
• Ambient diffraction temperature: 301.92 ± 0.14 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No