Information card for entry 4349751

Structure parameters

• Chemical name: 4-anilinoquinazoline derivative
• Formula: C20 H21 Cl F N5 O4
• Calculated formula: C20 H21 Cl F N5 O4
• SMILES: Clc1cc(Nc2ncnc3cc(OC)c(OCCn4ccnc4)cc23)ccc1F.O.O
• Title of publication: Luminescent cyclometallated platinum(ii) complexes: highly promising EGFR/DNA probes and dual-targeting anticancer agents
• Authors of publication: Zhang, Yang; Luo, Qun; Zheng, Wei; Wang, Zhaoying; Lin, Yu; Zhang, Erlong; Lü, Shuang; Xiang, Junfeng; Zhao, Yao; Wang, Fuyi
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 413
• a: 7.369 ± 0.002 Å
• b: 10.914 ± 0.003 Å
• c: 14.365 ± 0.005 Å
• α: 69.058 ± 0.011°
• β: 83.58 ± 0.015°
• γ: 72.354 ± 0.011°
• Cell volume: 1028.2 ± 0.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0698
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No