Information card for entry 1551959

Structure parameters

• Formula: C26 H23 N O4
• Calculated formula: C26 H23 N O4
• SMILES: c1(cc2c(cc1)c1c(cc2)C(=O)c2c(C1=O)ccc1c2N[C@@]2(C[C@H]1O[C@H]([C@@H]2O)C)C)C
• Title of publication: Synthesis of marmycin A and investigation into its cellular activity
• Authors of publication: Tatiana Caneque; Filipe Gomes; Trang Thi Mai; Giovanni Maestri; Max Malacria; Raphael Rodriguez
• Journal of publication: Nature Chemistry
• Year of publication: 2015
• Journal volume: 7
• Pages of publication: 744 - 751
• a: 7.0956 ± 0.0002 Å
• b: 11.5517 ± 0.0003 Å
• c: 24.171 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1981.21 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1324
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No