Information card for entry 7222233

Structure parameters

• Formula: C16 H17 N O3
• Calculated formula: C17.5 H19.5 N O3
• Title of publication: Synthesis and evaluation of novel quinuclidinone derivatives as potential anti-proliferative agents
• Authors of publication: Soni, Jigar Y.; Sanghvi, Shridhar; Devkar, Ranjitsinh V.; Thakore, Sonal
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 5.8724 ± 0.0003 Å
• b: 8.1184 ± 0.0003 Å
• c: 17.0501 ± 0.001 Å
• α: 90°
• β: 94.221 ± 0.005°
• γ: 90°
• Cell volume: 810.65 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.243
• Weighted residual factors for all reflections included in the refinement: 0.2507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No