Information card for entry 1507374

Structure parameters

• Formula: C23 H N O7
• Calculated formula: C23 H36 N O5
• Title of publication: Asymmetric total synthesis and stereochemical elucidation of the antitumor agent PM-94128.
• Authors of publication: Patel, Samir K.; Murat, Karine; Py, Sandrine; Vallée, Yannick
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 22
• Pages of publication: 4081 - 4084
• a: 9.57 ± 0.002 Å
• b: 10.258 ± 0.003 Å
• c: 12.102 ± 0.003 Å
• α: 90°
• β: 92 ± 0.02°
• γ: 90°
• Cell volume: 1187.3 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections: 2.35
• Goodness-of-fit parameter for all reflections included in the refinement: 2.35
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No