Information card for entry 2008521

Structure parameters

• Common name: TNLP
• Chemical name: Theonellapeptolide-Id
• Formula: C70 H149 N13 O28
• Calculated formula: C70 H125 N13 O27.65
• Title of publication: The highly solvated structure of theonellapeptolide Id, a tridecapeptide lactone from the Okinawa marine sponge <i>Theonella swinhoei</i>
• Authors of publication: Mitsunobu Doi; Toshimasa Ishida; Motomasa Kobayashi; Jeffrey R. Deschamps; Judith L. Flippen-Anderson
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 796 - 798
• a: 21.205 ± 0.004 Å
• b: 37.941 ± 0.008 Å
• c: 12.227 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9837 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.136
• Residual factor for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No