Information card for entry 7235566

Structure parameters

• Formula: C29 H27 N3 O4
• Calculated formula: C29 H27 N3 O4
• Title of publication: Discovery of a novel fluorescent HSP90 inhibitor and its anti-lung cancer effect
• Authors of publication: Bai, Su-Yun; Dai, Xi; Zhao, Bao-Xiang; Miao, Jun-Ying
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 38
• Pages of publication: 19887
• a: 7.512 ± 0.003 Å
• b: 10.869 ± 0.004 Å
• c: 15.71 ± 0.007 Å
• α: 73.025 ± 0.008°
• β: 89.269 ± 0.008°
• γ: 85.733 ± 0.008°
• Cell volume: 1223.4 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.242
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.2163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No