Information card for entry 7246607

Structure parameters

• Formula: C18 H14 Br2 N2
• Calculated formula: C18 H14 Br2 N2
• SMILES: Brc1cc2c([nH]cc2C(c2c3c([nH]c2)ccc(Br)c3)C)cc1
• Title of publication: Utilization of methanol and ethanol for 3,3′-bis(indolyl)methane synthesis through activation of peroxymonosulfate over a copper catalyst
• Authors of publication: Devi, Arpita; Bharali, Mrinmoy Manash; Biswas, Subir; Bora, Tonmoy J.; Nath, Jayanta K.; Lee, Seonghwan; Park, Young-Bin; Saikia, Lakshi; Baruah, Manash J.; Bania, Kusum K.
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 9
• Pages of publication: 3443 - 3448
• a: 12.96 ± 0.005 Å
• b: 18.557 ± 0.01 Å
• c: 7.814 ± 0.003 Å
• α: 90°
• β: 120.687 ± 0.009°
• γ: 90°
• Cell volume: 1616.1 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1275
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No