Information card for entry 7150619

Structure parameters

• Formula: C18 H18 N2 O4
• Calculated formula: C18 H18 N2 O4
• Title of publication: Synthesis of azepino[4,5-b]indolones via an intermolecular radical oxidative substitution of N-Boc tryptamine
• Authors of publication: Reyes-Gutiérrez, Paul E.; Torres-Ochoa, Rubén O.; Martínez, Roberto; Miranda, Luis D.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 1388 - 1396
• a: 9.7516 ± 0.0016 Å
• b: 17.835 ± 0.003 Å
• c: 8.8391 ± 0.0014 Å
• α: 90°
• β: 90.635 ± 0.002°
• γ: 90°
• Cell volume: 1537.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0616
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No