Information card for entry 7111764

Structure parameters

• Common name: cylo-bis((L)-prolyl-alpha-6-amino-2-picolinyl)
• Chemical name: cylo-bis[(L)-prolyl-alpha-6-amino-2-picolinyl]
• Formula: C22 H22 N6 O4
• Calculated formula: C22 H22 N6 O4
• Title of publication: Formation of a cyclic tetrapeptide mimic by thermal azide‒alkyne 1,3-dipolar cycloaddition
• Authors of publication: Krause, Martin R.; Goddard, Richard; Kubik, Stefan
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 29
• Pages of publication: 5307 - 5309
• a: 9.138 ± 0.004 Å
• b: 11.325 ± 0.005 Å
• c: 19.715 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2040.3 ± 1.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 294 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: 0.0535
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No