Information card for entry 1507479

Structure parameters

• Common name: UCS1025A monohydrate
• Chemical name: (2aR,7aS,7bR)-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-hydroxymethylene}-2,2a,3,4,6,7,7a,7b-octahydro- 7b-hydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione monohydrate
• Formula: C20 H27 N O6
• Calculated formula: C20 H25 N O6
• Title of publication: UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies
• Authors of publication: Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka
• Journal of publication: Organic Letters
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 25
• Pages of publication: 4387
• a: 17.1716 ± 0.0013 Å
• b: 6.2714 ± 0.0007 Å
• c: 19.602 ± 0.003 Å
• α: 90°
• β: 90.762 ± 0.01°
• γ: 90°
• Cell volume: 2110.8 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.1509
• Residual factor for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections: 0.3221
• Weighted residual factors for significantly intense reflections: 0.2792
• Goodness-of-fit parameter for all reflections: 1.088
• Goodness-of-fit parameter for significantly intense reflections: 1.187
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No