Information card for entry 7132242

Structure parameters

• Formula: C49 H51 N3 O8
• Calculated formula: C49 H51 N3 O8
• Title of publication: Supramolecular intermediates in thermo-mechanochemical direct amidations
• Authors of publication: Stolar, Tomislav; Alić, Jasna; Talajić, Gregor; Cindro, Nikola; Rubčić, Mirta; Molcanov, Kresimir; Užarević, Krunoslav; Hernández, José G.
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 16.3249 ± 0.0003 Å
• b: 6.1159 ± 0.0001 Å
• c: 21.4268 ± 0.0003 Å
• α: 90°
• β: 91.637 ± 0.001°
• γ: 90°
• Cell volume: 2138.41 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No