Information card for entry 1548470

Structure parameters

• Formula: C44 H70 F3 N5 O9 S Si2
• Calculated formula: C44 H70 F3 N5 O9 S Si2
• SMILES: S(/C(=N/[C@@]12N(C(=O)c3n([C@@H]2O)ccc3)C[C@@H]2[C@@H](CO[Si](C)(C(C)(C)C)C)[C@H](O[Si](C(C)(C)C)(C)C)[C@@](NC(=O)C(F)(F)F)([C@@H]12)C=C)NC(=O)OCc1ccccc1)C.OCC.OCC.S(/C(=N/[C@]12N(C(=O)c3n([C@H]2O)ccc3)C[C@H]2[C@H](CO[Si](C)(C(C)(C)C)C)[C@@H](O[Si](C(C)(C)C)(C)C)[C@](NC(=O)C(F)(F)F)([C@H]12)C=C)NC(=O)OCc1ccccc1)C.OCC.OCC
• Title of publication: Total synthesis of palau'amine
• Authors of publication: Kosuke Namba; Kohei Takeuchi; Yukari Kaihara; Masataka Oda; Akira Nakayama; Atsushi Nakayama; Masahiro Yoshida; Keiji Tanino
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 8731
• a: 13.0627 ± 0.0008 Å
• b: 22.7178 ± 0.0012 Å
• c: 18.8564 ± 0.0009 Å
• α: 90°
• β: 107.908 ± 0.0012°
• γ: 90°
• Cell volume: 5324.6 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.2443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No