Information card for entry 7216947

Structure parameters

• Common name: Boc-L-Pro-(Aib-δ^Z^Phe)~2~-Aib-OMe
• Formula: C41 H54 N6 O9
• Calculated formula: C41 H47 N6 O9
• Title of publication: Solid-state conformations of oligopeptides possessing an -(Aib-ΔZPhe)2- segment†
• Authors of publication: Inai, Yoshihito; Oshikawa, Tatsuo; Yamashita, Mitsuji; Hirabayashi, Tadamichi; Ashitaka, Satoru
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 6
• Pages of publication: 892
• a: 19.099 ± 0.003 Å
• b: 19.789 ± 0.002 Å
• c: 11.98 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4527.8 ± 1.1 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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: 0.1934
• Residual factor for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections: 0.3287
• Goodness-of-fit parameter for all reflections: 1.973
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No