Information card for entry 7153126

Structure parameters

• Formula: C19 H14 Br N O3
• Calculated formula: C19 H14 Br N O3
• SMILES: Brc1ccc(/C=C(c2[nH]c3c(cccc3)c2C=O)/C(=O)OC)cc1
• Title of publication: l-Proline catalyzed stereoselective synthesis of (E)-methyl-α-indol-2-yl-β-aryl/alkyl acrylates: easy access to substituted carbazoles, γ-carbolines and prenostodione.
• Authors of publication: Biswas, Soumen; Jaiswal, Pradeep Kumar; Singh, Shivendra; Mobin, Shaikh M.; Samanta, Sampak
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 41
• Pages of publication: 7084 - 7087
• a: 11.3964 ± 0.0009 Å
• b: 7.3357 ± 0.0006 Å
• c: 20.4793 ± 0.0007 Å
• α: 90°
• β: 103.585 ± 0.005°
• γ: 90°
• Cell volume: 1664.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No