Information card for entry 4130495

Structure parameters

• Formula: C23 H33 Cl10 N3 O2 S
• Calculated formula: C23 H33 Cl10 N3 O2 S
• SMILES: S(=O)(N[C@]12C(=O)N(c3c1c(ccc3)[C@H]([NH2+]CC2)C=C(C)C)C)C(C)(C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[Cl-]
• Title of publication: Convergent and Biomimetic Enantioselective Total Synthesis of (-)-Communesin F.
• Authors of publication: Lathrop, Stephen P.; Pompeo, Matthew; Chang, Wen-Tau T; Movassaghi, Mohammad
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 24
• Pages of publication: 7763 - 7769
• a: 12.4064 ± 0.0006 Å
• b: 13.3489 ± 0.0007 Å
• c: 20.4516 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3387 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0325
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No