Information card for entry 7160130

Structure parameters

• Formula: C19 H21 N O5
• Calculated formula: C19 H21 N O5
• Title of publication: Brønsted Acid-Promoted Synthesis of Highly Functionalized Tetrahydrocarbazoles from Diethyl (E)-5-diazo-4-oxohex-2-enedioate
• Authors of publication: Arunkumar, Vemula; Balamurugan, Rengarajan
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 8.4646 ± 0.0007 Å
• b: 21.096 ± 0.002 Å
• c: 10.1483 ± 0.001 Å
• α: 90°
• β: 105.96 ± 0.004°
• γ: 90°
• Cell volume: 1742.3 ± 0.3 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 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: 0.089
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0575
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No