Information card for entry 7132286

Structure parameters

• Chemical name: N-CONFUSED PORPHYRIN RING
• Formula: C38 H26 N4 O5 S
• Calculated formula: C38 H26 N4 O5 S
• 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: 15.3315 ± 0.001 Å
• b: 7.677 ± 0.0005 Å
• c: 25.9418 ± 0.0017 Å
• α: 90°
• β: 96.515 ± 0.003°
• γ: 90°
• Cell volume: 3033.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0497
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No