Information card for entry 7248850

Structure parameters

• Formula: C40 H31 N3 O3
• Calculated formula: C40 H31 N3 O3
• Title of publication: Synthesis, computational docking and molecular dynamics studies of a new class of spiroquinoxalinopyrrolidine embedded chromanone hybrids as potent anti-cholinesterase agents
• Authors of publication: Arumugam, Natarajan; Darshan V. M., Datta; Venketesh, Vishal; Pradhan, Sai Sanwid; Garg, Anuj; Sivaramakrishnan, Venketesh; Kanchi, Subbarao; Mahalingam, Sakkarapalayam M.
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 26
• Pages of publication: 18815 - 18831
• a: 13.485 ± 0.0018 Å
• b: 11.0322 ± 0.0014 Å
• c: 21.808 ± 0.003 Å
• α: 90°
• β: 104.878 ± 0.004°
• γ: 90°
• Cell volume: 3135.6 ± 0.7 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: 0.1739
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.1948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No