Information card for entry 7117864

Structure parameters

• Formula: C23 H23 F N4 O5
• Calculated formula: C23 H22 F N4 O5
• SMILES: O=c1c2c(n(cc1C(=O)O)CC)cc(N1CCN(C(=O)c3ccc(OC)cn3)CC1)c(F)c2
• Title of publication: Discovery of fluoroquinolone derivatives as potent, selective inhibitors of PI3Kγ
• Authors of publication: Sha, Shao; Han, Hong-Wei; Gao, Fei; Liu, Tian-Bao; Li, Zhen; Xu, Chi; Zhong, Wei-Qing; Zhu, Hai-Liang
• Journal of publication: Med. Chem. Commun.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 2029
• a: 7.8954 ± 0.0006 Å
• b: 24.3573 ± 0.0018 Å
• c: 12.7445 ± 0.0009 Å
• α: 90°
• β: 94.249 ± 0.003°
• γ: 90°
• Cell volume: 2444.2 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1921
• Residual factor for significantly intense reflections: 0.1481
• Weighted residual factors for significantly intense reflections: 0.4093
• Weighted residual factors for all reflections included in the refinement: 0.4323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.679
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No