Information card for entry 4025596

Structure parameters

• Formula: C25 H28 O8
• Calculated formula: C25 H14 O8
• Title of publication: Synthetic Studies on Lactonamycins: Synthesis of the Model BCDEF Aglycon
• Authors of publication: Kana Watanabe; Yusuke Iwata; Satoshi Adachi; Tomoyuki Nishikawa; Yuko Yoshida; Shunsuke Kameda; Mitsuaki Ide; Yoko Saikawa; Masaya Nakata
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 5573 - 5579
• a: 14.554 ± 0.005 Å
• b: 18.044 ± 0.007 Å
• c: 7.886 ± 0.002 Å
• α: 90°
• β: 104.18 ± 0.03°
• γ: 90°
• Cell volume: 2007.9 ± 1.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No