Information card for entry 1507030

Structure parameters

• Formula: C17 H17 N O2
• Calculated formula: C17 H17 N O2
• SMILES: C1(=O)C(c2c(cccc2OC)N1C)Cc1ccccc1
• Title of publication: One-pot homolytic aromatic substitutions/HWE olefinations under microwave conditions for the formation of a small oxindole library.
• Authors of publication: Teichert, Antje; Jantos, Katja; Harms, Klaus; Studer, Armido
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 20
• Pages of publication: 3477 - 3480
• a: 8.3974 ± 0.0015 Å
• b: 9.0952 ± 0.0013 Å
• c: 10.0046 ± 0.0015 Å
• α: 95.733 ± 0.017°
• β: 111.551 ± 0.018°
• γ: 97.026 ± 0.019°
• Cell volume: 696.6 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No