Information card for entry 7063669

Structure parameters

• Formula: C14 H14 O6
• Calculated formula: C14 H14 O6
• 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: 9.78624 ± 0.00014 Å
• b: 14.74804 ± 0.00017 Å
• c: 10.33498 ± 0.00015 Å
• α: 90°
• β: 114.746 ± 0.0018°
• γ: 90°
• Cell volume: 1354.65 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0649
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No