Information card for entry 4110262

Structure parameters

• Formula: C25 H29 N O6
• Calculated formula: C25 H29 N O6
• SMILES: Oc1ccc(c(O)c1NC(=O)CC[C@@]1(C(=O)C=C[C@]23[C@H]1[C@@H]1C[C@H](C2)[C@@](C1)(C3)C)C)C(=O)O
• Title of publication: Total Synthesis and Antibacterial Properties of Carbaplatensimycin
• Authors of publication: K. C. Nicolaou; Yefeng Tang; Jianhua Wang; Antonia F. Stepan; Ang Li; Ana Montero
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 14850 - 14851
• a: 10.166 ± 0.002 Å
• b: 11.161 ± 0.002 Å
• c: 19.386 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2199.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.073
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No