Information card for entry 7245578

Structure parameters

• Chemical name: 8m
• Formula: C25 H24 N2 O4
• Calculated formula: C25 H24 N2 O4
• Title of publication: Base-selective access to highly functionalized heterocycles from multicomponent Ugi adducts
• Authors of publication: González-Saiz, Beatriz; Pertejo, Pablo; Peña-Calleja, Pablo; Mielczarek, Marcin; Hermosilla, Tomás; Carreira-Barral, Israel; de Miguel, Olivia; Rodríguez-Vidal, Francisco; Quesada, Roberto; García-Valverde, María
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 20
• Pages of publication: 7988 - 7995
• a: 8.9559 ± 0.0003 Å
• b: 11.0368 ± 0.0004 Å
• c: 12.1951 ± 0.0005 Å
• α: 90.73 ± 0.001°
• β: 106.001 ± 0.001°
• γ: 100.401 ± 0.001°
• Cell volume: 1137.18 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No