Information card for entry 7150957

Structure parameters

• Formula: C11 H16 O2
• Calculated formula: C11 H16 O2
• SMILES: C1(=O)CCC[C@H]2CC(=O)CC[C@@]12C
• Title of publication: Combining multi-catalysis and multi-component systems for the development of one-pot asymmetric reactions: stereoselective synthesis of highly functionalized bicyclo[4.4.0]decane-1,6-diones
• Authors of publication: Ramachary, Dhevalapally B.; Sakthidevi, Rajasekar
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 14
• Pages of publication: 2488 - 2492
• a: 7.2451 ± 0.0007 Å
• b: 7.3525 ± 0.0007 Å
• c: 9.3666 ± 0.0009 Å
• α: 90°
• β: 93.255 ± 0.002°
• γ: 90°
• Cell volume: 498.15 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No