Information card for entry 4036882

Structure parameters

• Formula: C12 H21 O5.5
• Calculated formula: C12 H21 O5.5
• Title of publication: Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers.
• Authors of publication: Wang, Jian; Tong, Rongbiao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 10
• Pages of publication: 4325 - 4339
• a: 10.7852 ± 0.0003 Å
• b: 13.2851 ± 0.0004 Å
• c: 28.0787 ± 0.0008 Å
• α: 103.104 ± 0.003°
• β: 90.658 ± 0.002°
• γ: 103.73 ± 0.003°
• Cell volume: 3797.4 ± 0.2 ų
• Cell temperature: 99.9 ± 0.5 K
• Ambient diffraction temperature: 99.9 ± 0.5 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No