Information card for entry 7239353

Structure parameters

• Formula: C18 H18 N O4
• Calculated formula: C18 H15 N O4
• Title of publication: Synthesis of fused tetrahydropyrido[2,3-c]coumarin derivatives as potential inhibitors for dopamine d3 receptors, catalyzed by hydrated ferric sulfate
• Authors of publication: Das, Deb K.; Sarkar, Satavisha; Khan, Abu T.; Saravanan, Parameswaran; Patra, Sanjukta
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 7
• Pages of publication: 3581
• a: 11.8099 ± 0.0005 Å
• b: 9.7399 ± 0.0005 Å
• c: 12.737 ± 0.0006 Å
• α: 90°
• β: 93.828 ± 0.002°
• γ: 90°
• Cell volume: 1461.83 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.092
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No