Information card for entry 7248299

Structure parameters

• Formula: C25.5 H27 Cl F N4 O4.5
• Calculated formula: C25.5 H27 Cl F N4 O4.5
• 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: 7.73274 ± 0.00005 Å
• b: 12.20698 ± 0.0001 Å
• c: 14.35665 ± 0.00012 Å
• α: 65.3898 ± 0.0008°
• β: 84.3011 ± 0.0006°
• γ: 89.307 ± 0.0006°
• Cell volume: 1225.34 ± 0.018 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 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: 0.0389
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No