Information card for entry 7056526

Structure parameters

• Formula: C25 H24 O6
• Calculated formula: C25 H24 O6
• Title of publication: Organobase Catalysed One-pot Exo-selective Synthesis of meso-Spiro[Cyclohexanone-Pyrandione] Derivatives
• Authors of publication: talhi, oualid; Abdeldjebar, Hasnia; Belmiloud, Yamina; Hassaine, Ridha; Taibi, Nadia; Valega, Monica; Almeida Paz, Filipe Alexandre; Brahimi, Meziane; Bachari, Khaldoun; Silva, Artur M. S.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 10790 - 10798
• a: 14.1989 ± 0.0003 Å
• b: 6.3206 ± 0.0001 Å
• c: 24.271 ± 0.0005 Å
• α: 90°
• β: 96.751 ± 0.002°
• γ: 90°
• Cell volume: 2163.11 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.715 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No