Information card for entry 4029938

Structure parameters

• Chemical name: Boc-(Leu-Leu-(R,R)Ac5(N3))3-OMe.MeOH
• Formula: C61 H103 N27 O13
• Calculated formula: C61 H103 N27 O13
• Title of publication: Helical Peptide-foldamers having a chiral five-membered ring amino Acid with two azido functional groups.
• Authors of publication: Oba, Makoto; Takazaki, Hiroomi; Kawabe, Naomi; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Kawakubo, Hiromu; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 19
• Pages of publication: 9125 - 9140
• a: 10.867 ± 0.0007 Å
• b: 23.2902 ± 0.0018 Å
• c: 15.3789 ± 0.0011 Å
• α: 90°
• β: 93.761 ± 0.002°
• γ: 90°
• Cell volume: 3883.9 ± 0.5 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1254
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2152
• Weighted residual factors for all reflections included in the refinement: 0.2434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No