Information card for entry 7155514

Structure parameters

• Chemical name: N-(tert-butyl)-2-(9-(2-(cyclopentylamino)-2-oxoethyl)-3,10-dioxo-4,9-diaza-1,2(1,3)-dibenzenacyclodecaphane-4-yl)acetamide
• Formula: C63 H80 N8 O9
• Calculated formula: C63 H80 N8 O9
• Title of publication: Diversity-oriented synthesis and cytotoxic activity evaluation of biaryl-containing macrocycles.
• Authors of publication: Pérez-Labrada, Karell; Cruz-Mendoza, Marco A; Chávez-Riveros, Alejandra; Hernández-Vázquez, Eduardo; Torroba, Tomás; Miranda, Luis D.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 2450 - 2458
• a: 7.5086 ± 0.0002 Å
• b: 20.531 ± 0.0005 Å
• c: 20.0462 ± 0.0005 Å
• α: 90°
• β: 97.9726 ± 0.0015°
• γ: 90°
• Cell volume: 3060.43 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1764
• Residual factor for significantly intense reflections: 0.1513
• Weighted residual factors for significantly intense reflections: 0.3364
• Weighted residual factors for all reflections included in the refinement: 0.3543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No