Information card for entry 4133425

Structure parameters

• Formula: C25 H37 Br Cl N O4 Si
• Calculated formula: C25 H37 Br Cl N O4 Si
• SMILES: Brc1c2[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C(=C=C(C)C)c2cc(Cl)c1N(=O)=O)C(O)(C)C
• Title of publication: Twelve-Step Asymmetric Synthesis of (-)-Nodulisporic Acid C.
• Authors of publication: Godfrey, Nicole A.; Schatz, Devon J.; Pronin, Sergey V.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 40
• Pages of publication: 12770 - 12774
• a: 7.9555 ± 0.0007 Å
• b: 16.5243 ± 0.0015 Å
• c: 21.253 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2793.9 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• 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: 0.0799
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1781
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No