Information card for entry 7102133

Structure parameters

• Formula: C37 H40 N2 O5
• Calculated formula: C37 H40 N2 O5
• Title of publication: Mild lanthanide(III) catalyzed formation of 4,5-diaminocyclopent-2-enones from 2-furaldehyde and secondary amines: a domino condensation/ring-opening/electrocyclization process.
• Authors of publication: Li, Sze-Wan; Batey, Robert A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 36
• Pages of publication: 3759 - 3761
• a: 10.3806 ± 0.0004 Å
• b: 23.213 ± 0.001 Å
• c: 13.4673 ± 0.0006 Å
• α: 90°
• β: 94.869 ± 0.002°
• γ: 90°
• Cell volume: 3233.4 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.121
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No