Information card for entry 7158825

Structure parameters

• Formula: C23 H19 N O5
• Calculated formula: C23 H19 N O5
• Title of publication: Synthesis of 7-hydroxydibenzopyran-6-ones via benzannulation of coumarins
• Authors of publication: Surya Prakash Rao, H.; Prabakaran, M.; Muthanna, Nandurka
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 9.7089 ± 0.0008 Å
• b: 14.351 ± 0.0012 Å
• c: 14.2749 ± 0.0015 Å
• α: 90°
• β: 106.946 ± 0.01°
• γ: 90°
• Cell volume: 1902.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0729
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No