Information card for entry 7250355

Structure parameters

• Formula: C29 H34.34 N O4.67
• Calculated formula: C29 H34.34 N O4.67
• Title of publication: Design and synthesis of tetrahydrochromeno[3,4-e]isoindole-1,3(2H,3aH)-dione derivatives via the Diels–Alder reaction: molecular docking, antibacterial activity, ADMET analysis and photophysical properties
• Authors of publication: Parida, Sonali Priyadarshini; Mohapatra, Seetaram; Mohapatra, Suhasini; Behera, Tankadhar; Nayak, Sabita; Sahoo, Chita Ranjan
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 14499 - 14517
• a: 10.1175 ± 0.0005 Å
• b: 11.0197 ± 0.0005 Å
• c: 22.3483 ± 0.0013 Å
• α: 90°
• β: 90.674 ± 0.005°
• γ: 90°
• Cell volume: 2491.5 ± 0.2 ų
• Cell temperature: 266 ± 12 K
• Ambient diffraction temperature: 266 ± 12 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: 0.0665
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No