Information card for entry 7133154

Structure parameters

• Formula: C38 H39 N O8
• Calculated formula: C38 H39 N O8
• Title of publication: Total synthesis of 1,4a-di-<i>epi-ent</i>-pancratistatin, exemplifying a stereodivergent approach to pancratistatin isomers.
• Authors of publication: Sun, Chunzhao; Inokuma, Tsubasa; Tsuji, Daisuke; Yamaoka, Yousuke; Akagi, Reiko; Yamada, Ken-Ichi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 53
• Pages of publication: 6757 - 6760
• a: 7.7775 ± 0.0002 Å
• b: 19.6476 ± 0.0004 Å
• c: 22.0751 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3373.28 ± 0.13 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0411
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No