Information card for entry 7216946

Structure parameters

• Common name: Boc-(Aib-δ^Z^Phe)~2~-Aib-OMe
• Formula: C38 H53 N5 O9
• Calculated formula: C38 H51 N5 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: 10.812 ± 0.002 Å
• b: 19.228 ± 0.004 Å
• c: 19.324 ± 0.003 Å
• α: 90°
• β: 101.98 ± 0.01°
• γ: 90°
• Cell volume: 3929.8 ± 1.3 ų
• Cell temperature: 223.2 K
• Ambient diffraction temperature: 223.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1483
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections: 0.2317
• Goodness-of-fit parameter for all reflections: 1.335
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuK\a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No