Information card for entry 4037953

Structure parameters

• Formula: C24 H18 Br2 N2 O4 S
• Calculated formula: C24 H18 Br2 N2 O4 S
• SMILES: Brc1n(S(=O)(=O)C)c2ccccc2c1[C@@]1(C(=O)N(c2c1cccc2)C)c1cc(Br)ccc1O
• 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: 9.0783 ± 0.0002 Å
• b: 10.2205 ± 0.0002 Å
• c: 25.0955 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2328.48 ± 0.08 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• 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: 0.0361
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No