Information card for entry 7222232

Structure parameters

• Formula: C21 H19 Br N2 O2
• Calculated formula: C21 H19 Br N2 O2
• SMILES: Brc1ccc(NC(=O)c2ccc(/C=C3\N4CCC(C3=O)CC4)cc2)cc1
• 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: 9.141 ± 0.0004 Å
• b: 9.6496 ± 0.0007 Å
• c: 11.1631 ± 0.0008 Å
• α: 75.954 ± 0.006°
• β: 80.58 ± 0.005°
• γ: 74.016 ± 0.005°
• Cell volume: 913.33 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0518
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No