Information card for entry 4029937

Structure parameters

• Chemical name: Boc-(Leu-Leu-Ac5N3)4-OMe
• Formula: C78 H128 N36 O15
• Calculated formula: C78 H128 N36 O15
• 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: 23.275 ± 0.002 Å
• b: 38.487 ± 0.003 Å
• c: 11.2451 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10073.2 ± 1.5 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 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: 0.0893
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.2187
• Weighted residual factors for all reflections included in the refinement: 0.2343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No