Information card for entry 7151826

Structure parameters

• Chemical name: Boc-(Leu-Leu-Acp)3-OMe
• Formula: C60.5 H109.5 N9 O13.75
• Calculated formula: C60.5 H109.5 N9 O13.75
• Title of publication: Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.
• Authors of publication: Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 3303 - 3312
• a: 15.4487 ± 0.0014 Å
• b: 44.175 ± 0.004 Å
• c: 21.6774 ± 0.0019 Å
• α: 90°
• β: 96.234 ± 0.002°
• γ: 90°
• Cell volume: 14706 ± 2 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 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: 0.1191
• Residual factor for significantly intense reflections: 0.0962
• Weighted residual factors for significantly intense reflections: 0.2635
• Weighted residual factors for all reflections included in the refinement: 0.2857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No