Information card for entry 7117627

Structure parameters

• Formula: C27 H29 Cl3 N2 O7
• Calculated formula: C27 H29 Cl3 N2 O7
• Title of publication: Organocatalytic cascade reaction for the asymmetric synthesis of novel chroman-fused spirooxindoles that potently inhibit cancer cell proliferation.
• Authors of publication: Zhou, Rui; Wu, Qinjie; Guo, Mingrui; Huang, Wei; He, Xianghong; Yang, Lei; Peng, Fu; He, Gu; Han, Bo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 66
• Pages of publication: 13113 - 13116
• a: 11.0927 ± 0.0007 Å
• b: 15.2908 ± 0.0009 Å
• c: 17.2201 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2920.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No