Information card for entry 7216876

Structure parameters

• Formula: C25 H34 O9
• Calculated formula: C25 H30.22 O9
• Title of publication: A chemoenzymatic synthesis of the carbobicyclic core associated with CP-225,917 and CP-263,114 (phomoidrides A and B)
• Authors of publication: Banwell, Martin G.; McRae, Kenneth J.; Willis, Anthony C.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 18
• Pages of publication: 2194
• a: 9.968 ± 0.002 Å
• b: 10.083 ± 0.002 Å
• c: 12.633 ± 0.001 Å
• α: 90°
• β: 105.15 ± 0.01°
• γ: 90°
• Cell volume: 1225.6 ± 0.4 ų
• Cell temperature: 193.2 K
• Ambient diffraction temperature: 193.2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections: 2.839
• Goodness-of-fit parameter for all reflections included in the refinement: 2.938
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No