Information card for entry 7159222

Structure parameters

• Formula: C17 H19 N O3
• Calculated formula: C17 H19 N O3
• Title of publication: Synthesis of azepane-fused pyrano[3,2-<i>b</i>]indoles by Lewis acid-catalysed oxa Diels-Alder reactions.
• Authors of publication: Banda, Saikumar; Villinger, Alexander; Brasholz, Malte
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 21
• Pages of publication: 4379 - 4381
• a: 19.5971 ± 0.0013 Å
• b: 7.6234 ± 0.0005 Å
• c: 19.6148 ± 0.0013 Å
• α: 90°
• β: 100.404 ± 0.002°
• γ: 90°
• Cell volume: 2882.2 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No