Information card for entry 7063670

Structure parameters

• Formula: C17 H22 O5
• Calculated formula: C17 H22 O5
• Title of publication: Combined prioritization and dereplication-based rapid identification of new 8-alkylated coumarins: podurins A and B from the leaves of Murraya paniculata and cytotoxic evaluation
• Authors of publication: Kumari, Sanju; Saini, Vaishali; Chakrabarty, Sanheeta; Kumar, Sanjay; Jha, Hem Chandra; Ronickom, Jac Fredo Agastinose; Kumar, Sanjeev; Jain, Shreyans K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 4842 - 4848
• a: 6.7946 ± 0.0001 Å
• b: 9.8825 ± 0.0001 Å
• c: 22.9394 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1540.33 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No