Information card for entry 2108112

Structure parameters

• Formula: C30 H48 N6 O11
• Calculated formula: C30 H48 N6 O11
• 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: 8.3412 ± 0.0003 Å
• b: 9.356 ± 0.0003 Å
• c: 21.5561 ± 0.0009 Å
• α: 78.318 ± 0.004°
• β: 88.636 ± 0.004°
• γ: 83.546 ± 0.003°
• Cell volume: 1636.96 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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 R(I) for significantly intense reflections: 0.0272
• Goodness-of-fit parameter for all reflections: 1.114
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.849893 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No