Information card for entry 7154346

Structure parameters

• Formula: C25 H22 N2
• Calculated formula: C25 H22 N2
• SMILES: c1ccc2c(cn(c2c1)C)C(c1cn(C)c2c1cccc2)c1ccccc1
• Title of publication: One-pot total synthesis of streptindole, arsindoline B and their congeners through tandem decarboxylative deaminative dual-coupling reaction of amino acids with indoles.
• Authors of publication: Xiang, Jiachen; Wang, Jungang; Wang, Miao; Meng, Xianggao; Wu, Anxin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 14
• Pages of publication: 4240 - 4247
• a: 9.4408 ± 0.0017 Å
• b: 25.506 ± 0.005 Å
• c: 8.066 ± 0.0015 Å
• α: 90°
• β: 95.641 ± 0.004°
• γ: 90°
• Cell volume: 1932.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No