Information card for entry 7063335

Structure parameters

• Formula: C19 H12 O3
• Calculated formula: C19 H12 O3
• Title of publication: A short and elegant synthetic approach for 9-substituted tetrahydro coumestan derivatives and synthesis of some naturally occurring coumestan derivatives
• Authors of publication: Faraz, Simra; Khan, Abu Taleb
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 13514 - 13525
• a: 7.028 ± 0.003 Å
• b: 13.206 ± 0.004 Å
• c: 14.716 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1365.8 ± 0.9 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 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: 0.0608
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No