Information card for entry 7207696

Structure parameters

• Formula: C16 H18 N2 O
• Calculated formula: C16 H18 N2 O
• SMILES: O=C1N2C(c3[nH]c4c(c3CC2)cccc4)(C)CCC1
• Title of publication: Racemic and diastereoselective construction of indole alkaloids under solvent- and catalyst-free microwave-assisted Pictet‒Spengler condensation
• Authors of publication: Jida, Mouhamad; Soueidan, Olivier-Mohamad; Deprez, Benoit; Laconde, Guillaume; Deprez-Poulain, Rebecca
• Journal of publication: Green Chemistry
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 909
• a: 8.715 ± 0.004 Å
• b: 11.09 ± 0.004 Å
• c: 13.771 ± 0.007 Å
• α: 90°
• β: 90.303 ± 0.006°
• γ: 90°
• Cell volume: 1330.9 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.113
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections: 0.1143
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No