Information card for entry 7132283

Structure parameters

• Formula: C2.35 H1.88 D0.24 N0.24 O0.47
• Calculated formula: C2.35294 H1.88235 D0.235294 N0.235294 O0.470588
• Title of publication: A Condition-Tuned Unorthodox Approach to Indole-3-Carboxylic Acids and Anthranilic Acids via Carbon Atom Translocation
• Authors of publication: Bhowmik, arup; Naskar, Koushik; Roy, Shantonu; Karmakar, Sudip; Sarkar, Writhabrata; Mondal, Imtiaj; Sana, Arindam; Deb, Indubhusan
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 5.0244 ± 0.0004 Å
• b: 29.261 ± 0.002 Å
• c: 5.9187 ± 0.0005 Å
• α: 90°
• β: 100.326 ± 0.005°
• γ: 90°
• Cell volume: 856.07 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0968
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No