Information card for entry 7158406

Structure parameters

• Formula: C18 H15 Cl N2
• Calculated formula: C18 H15 Cl N2
• SMILES: n1(c2c(c(c3n(c4c(c3Cl)cccc4)C)c1)cccc2)C
• Title of publication: Synthesis of 3-halogenated 2,3'-biindoles by a copper-mediated 2,3-difunctionalization of indoles.
• Authors of publication: Zhang, Xiaoxiang; Zhang, Yingying; Gu, Xiaoting; Zhang, Zhuan; Wei, Wanxing; Liang, Taoyuan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 47
• Pages of publication: 10403 - 10407
• a: 13.1846 ± 0.001 Å
• b: 7.7958 ± 0.0007 Å
• c: 15.6184 ± 0.0012 Å
• α: 90°
• β: 113.389 ± 0.009°
• γ: 90°
• Cell volume: 1473.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No