Information card for entry 7106862

Structure parameters

• Formula: C26 H32 N4 O6
• Calculated formula: C26 H32 N4 O6
• Title of publication: Expedient entry to the piperazinohydroisoquinoline ring system using a sequential Ugi/Pictet-Spengler/reductive methylation reaction protocol
• Authors of publication: Ma.-Angeles Cano-Herrera; Luis D. Miranda
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10770
• a: 12.5407 ± 0.0019 Å
• b: 13.946 ± 0.002 Å
• c: 15.358 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2686 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1723
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No