Information card for entry 7158638

Structure parameters

• Formula: C32 H38 N2 O3
• Calculated formula: C32 H38 N2 O3
• Title of publication: Synthesis of 14-membered enediyne-embedded macrocycles
• Authors of publication: Glavaš, Mladena; Gredičak, Matija; Stefanic, Zoran; Jerić, Ivanka
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 5.8525 ± 0.0002 Å
• b: 13.9095 ± 0.0004 Å
• c: 34.562 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2813.53 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No