Information card for entry 7121949

Structure parameters

• Formula: C33 H36 N4 O10
• Calculated formula: C33 H36 N4 O10
• Title of publication: Asymmetric synthesis of tetrahydroisoquinoline-fused spirooxindoles as Ras-GTP inhibitors that inhibit colon adenocarcinoma cell proliferation and invasion.
• Authors of publication: Zhao, Qian; Peng, Cheng; Huang, Hua; Liu, Shuai-Jiang; Zhong, Ya-Jun; Huang, Wei; He, Gu; Han, Bo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 60
• Pages of publication: 8359 - 8362
• a: 10.4543 ± 0.0002 Å
• b: 13.8322 ± 0.0003 Å
• c: 23.1289 ± 0.0005 Å
• α: 90°
• β: 90.3385 ± 0.0017°
• γ: 90°
• Cell volume: 3344.52 ± 0.12 ų
• Cell temperature: 295.12 ± 0.15 K
• Ambient diffraction temperature: 295.12 ± 0.15 K
• Number of distinct elements: 4
• 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: 0.0875
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.2011
• Weighted residual factors for all reflections included in the refinement: 0.2138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No