Information card for entry 7239399

Structure parameters

• Formula: C31 H31 N O6
• Calculated formula: C31 H31 N O6
• Title of publication: Design and synthesis of ERα/ERβ selective coumarin and chromene derivatives as potential anti-breast cancer and anti-osteoporotic agents
• Authors of publication: Hussain, M. Kamil; Ansari, M. Imran; Yadav, N.; Gupta, Puneet K.; Gupta, A. K.; Saxena, R.; Fatima, I.; Manohar, M.; Kushwaha, P.; Khedgikar, V.; Gautam, J.; Kant, Ruchir; Maulik, P. R.; Trivedi, R.; Dwivedi, A.; Kumar, K. Ravi; Saxena, A. K.; Hajela, K.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 17
• Pages of publication: 8828
• a: 8.7579 ± 0.0008 Å
• b: 10.0549 ± 0.0009 Å
• c: 16.4135 ± 0.0015 Å
• α: 104.343 ± 0.002°
• β: 94.619 ± 0.002°
• γ: 106.2 ± 0.002°
• Cell volume: 1327.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No