Information card for entry 4133424

Structure parameters

• Formula: C23 H29 N O2
• Calculated formula: C23 H29 N O2
• SMILES: O[C@H]1[C@@]([C@@H]2CC[C@@H]3[C@](c4[nH]c5ccccc5c4C3)([C@@]2(CC1)C)C)(C=O)C.O[C@@H]1[C@]([C@H]2CC[C@H]3[C@@](c4[nH]c5ccccc5c4C3)([C@]2(CC1)C)C)(C=O)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: 15.3662 ± 0.001 Å
• b: 13.9849 ± 0.0009 Å
• c: 17.6635 ± 0.0011 Å
• α: 90°
• β: 97.3964 ± 0.0008°
• γ: 90°
• Cell volume: 3764.2 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No