Information card for entry 7156721

Structure parameters

• Formula: C16 H19 N5 O2
• Calculated formula: C16 H19 N5 O2
• Title of publication: Synthesis of macrocyclic peptidomimetics via the Ugi-click-strategy.
• Authors of publication: Zakharova, Elena A.; Shmatova, Olga I.; Kutovaya, Irina V.; Khrustalev, Victor N.; Nenajdenko, Valentine G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 13
• Pages of publication: 3433 - 3445
• a: 8.9287 ± 0.0018 Å
• b: 19.324 ± 0.004 Å
• c: 9.833 ± 0.002 Å
• α: 90°
• β: 110.58 ± 0.03°
• γ: 90°
• Cell volume: 1588.3 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.1707
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.9699 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No