Information card for entry 7243203

Structure parameters

• Formula: C17 H14 O7
• Calculated formula: C17 H14 O7
• Title of publication: Synthesis of functionalized benzo[1,3]dioxin-4-ones from salicylic acid and acetylenic esters and their direct amidation
• Authors of publication: Bhaskaran, Rasmi P.; Nayak, Kalinga H.; Babu, Beneesh P.
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 40
• Pages of publication: 24570 - 24574
• a: 6.2678 ± 0.0007 Å
• b: 13.2735 ± 0.0014 Å
• c: 18.564 ± 0.002 Å
• α: 90°
• β: 90.548 ± 0.004°
• γ: 90°
• Cell volume: 1544.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No