Information card for entry 4029042

Structure parameters

• Formula: C14 H20 O7
• Calculated formula: C14 H20 O7
• Title of publication: Structural Revision of Cephalosporolide J and Bassianolone.
• Authors of publication: Song, Liyan; Lee, Ka-Ho; Lin, Zhenyang; Tong, Rongbiao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 3
• Pages of publication: 1493
• a: 11.448 ± 0.0002 Å
• b: 14.0412 ± 0.0002 Å
• c: 29.0912 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4676.23 ± 0.12 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 3
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No