Information card for entry 7160128

Structure parameters

• Formula: C15 H14 N O3
• Calculated formula: C15 H14 N O3
• 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: 8.6191 ± 0.0004 Å
• b: 8.8839 ± 0.0004 Å
• c: 9.3999 ± 0.0003 Å
• α: 81.898 ± 0.003°
• β: 73.226 ± 0.003°
• γ: 73.495 ± 0.004°
• Cell volume: 659.38 ± 0.05 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.1099
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.2301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No