Information card for entry 7152379

Structure parameters

• Formula: C17 H13 Br N2 O3
• Calculated formula: C17 H13 Br N2 O3
• Title of publication: Asymmetric Friedel-Crafts alkylation of indoles with 3-nitro-2H-chromenes catalyzed by diphenylamine-linked bis(oxazoline) and bis(thiazoline) Zn(II) complexes.
• Authors of publication: Jia, Yang; Yang, Wen; Du, Da-Ming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 24
• Pages of publication: 4739 - 4746
• a: 9.315 ± 0.003 Å
• b: 10.631 ± 0.004 Å
• c: 15.819 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1566.5 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0481
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections included in the refinement: 0.0377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No