Information card for entry 7212281

Structure parameters

• Formula: C18 H20 N2 O2
• Calculated formula: C18 H20 N2 O2
• SMILES: O=C1N2[C@]3(c4[nH]c5c(c4C[C@H]2CO)cccc5)[C@H](C1)CCC3
• Title of publication: Solvent-free microwave-assisted Meyers’ lactamization
• Authors of publication: Jida, Mouhamad; Deprez-Poulain, Rebecca; Malaquin, Sandra; Roussel, Pascal; Agbossou-Niedercorn, Francine; Deprez, Benoit; Laconde, Guillaume
• Journal of publication: Green Chemistry
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 961
• a: 8.4078 ± 0.0008 Å
• b: 8.3744 ± 0.0008 Å
• c: 11.4399 ± 0.001 Å
• α: 90°
• β: 98.698 ± 0.004°
• γ: 90°
• Cell volume: 796.22 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0506
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1559
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No