Information card for entry 4133423

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]3C(OC(C=C3c2cc(Cl)c1N(=O)=O)(C)C)(C)C.Brc1c2[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]3C(OC(C=C3c2cc(Cl)c1N(=O)=O)(C)C)(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: 8.6052 ± 0.0004 Å
• b: 10.8224 ± 0.0006 Å
• c: 16.0638 ± 0.0008 Å
• α: 72.9449 ± 0.0006°
• β: 78.4844 ± 0.0007°
• γ: 73.8845 ± 0.0006°
• Cell volume: 1362.58 ± 0.12 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No