Information card for entry 7701968

Structure parameters

• Formula: C29 H20 Cl Cu N3 O7
• Calculated formula: C29 H20 Cl Cu N3 O7
• Title of publication: Oxidative dehydrogenation of a coumarinyl scaffold with Copper ion and metal ion detection in human liver cancer cell (HepG2)
• Authors of publication: Dey, Sunanda; Maity, Suvendu; Pal, Kunal; Jana, Kuladip; Sinha, Chittaranjan
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 11.7997 ± 0.0018 Å
• b: 15.054 ± 0.002 Å
• c: 14.475 ± 0.002 Å
• α: 90°
• β: 90.113 ± 0.005°
• γ: 90°
• Cell volume: 2571.2 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.2044
• Residual factor for significantly intense reflections: 0.1151
• Weighted residual factors for significantly intense reflections: 0.2463
• Weighted residual factors for all reflections included in the refinement: 0.2996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No