Information card for entry 4037954

Structure parameters

• Formula: C27 H22 N2 O4 S
• Calculated formula: C27 H22 N2 O4 S
• SMILES: S(=O)(=O)(n1c2ccccc2c2Oc3c(C4(c12)C(=O)N(c1c4cccc1)C)cc1c(c3)CCC1)C
• Title of publication: FeCl3-Promoted Annulation of 2-haloindoles: Switchable Synthesis of Spirooxindole-chromeno[2,3-b]indoles and Spirooxindole-chromeno[3,2-b]indoles.
• Authors of publication: Luo, Mupeng; Zhu, Xinlei; Liu, Rufeng; Yu, Shunming; Wei, Wanguo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 12.45 ± 0.0013 Å
• b: 17.1118 ± 0.0019 Å
• c: 20.259 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4316 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No