Information card for entry 7157861

Structure parameters

• Common name: ORGANIC
• Formula: C28 H20 O3
• Calculated formula: C28 H20 O3
• Title of publication: Catalyst-free synthesis of 3,1-benzoxathiin-4-ones/1,3-benzodioxin-4-ones.
• Authors of publication: Muthusamy, Sengodagounder; Malarvizhi, Muthukumar; Suresh, Eringathodi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1508 - 1513
• a: 10.3275 ± 0.0007 Å
• b: 14.0098 ± 0.0009 Å
• c: 15.4589 ± 0.0011 Å
• α: 90.549 ± 0.002°
• β: 108.062 ± 0.002°
• γ: 101.778 ± 0.002°
• Cell volume: 2075.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No