Information card for entry 2108111

Structure parameters

• Formula: C30 H46 N6 O10
• Calculated formula: C30 H46 N6 O10
• Title of publication: Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
• Authors of publication: Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 3
• Pages of publication: 399 - 412
• a: 9.02833 ± 0.00016 Å
• b: 10.6182 ± 0.0002 Å
• c: 18.0158 ± 0.0004 Å
• α: 90°
• β: 102.62 ± 0.0014°
• γ: 90°
• Cell volume: 1685.35 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 R(I) for significantly intense reflections: 0.04091
• Goodness-of-fit parameter for all reflections: 2.882
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.427488 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No