Information card for entry 1529398

Structure parameters

• Formula: C25 H23 N O6
• Calculated formula: C25 H23 N O6
• SMILES: O(C)c1cc2C(C3(C(=O)c4cc(OC)cc(C)c4C(=C3C(=O)c2c(OC)c1)O)C#N)(C)C
• Title of publication: Studies on Antibiotics Active against Resistant Bacteria. Total Synthesis of MRSA-Active Tetarimycin A and Its Analogues.
• Authors of publication: Huang, Jing-Kai; Yang Lauderdale, Tsai-Ling; Shia, Kak-Shan
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 17
• Pages of publication: 4248 - 4251
• a: 31.5153 ± 0.0016 Å
• b: 8.7548 ± 0.0005 Å
• c: 18.0436 ± 0.001 Å
• α: 90°
• β: 123.435 ± 0.001°
• γ: 90°
• Cell volume: 4154.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No