Information card for entry 7153127

Structure parameters

• Formula: C19 H15 N O4
• Calculated formula: C19 H15 N O4
• SMILES: Oc1ccc(cc1)/C=C(/C(=O)OC)c1[nH]c2c(c1C=O)cccc2
• 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: 9.3019 ± 0.0005 Å
• b: 16.7028 ± 0.0018 Å
• c: 20.7326 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3221.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No