Information card for entry 7156365

Structure parameters

• Formula: C18 H19 N O6
• Calculated formula: C18 H19 N O6
• Title of publication: 2-Picoline catalyst-triggered [2 + 2 + 2] cycloaddition-type reaction of acetylenedicarboxylates, aldehydes and alkenes.
• Authors of publication: Tateishi, Keiichiro; Noguchi, Keiichi; Saito, Akio
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 33
• Pages of publication: 5965 - 5968
• a: 9.59148 ± 0.00017 Å
• b: 8.88839 ± 0.00016 Å
• c: 20.6593 ± 0.0004 Å
• α: 90°
• β: 95.3754 ± 0.0007°
• γ: 90°
• Cell volume: 1753.52 ± 0.06 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No