Information card for entry 4128154

Structure parameters

• Formula: C13 H19 N O
• Calculated formula: C13 H19 N O
• SMILES: O=C1c2[nH]c(cc2)CCCCCCCC1
• Title of publication: Anomalous Chromophore Disruption Enables an Eight-Step Synthesis and Stereochemical Reassignment of (+)-Marineosin A.
• Authors of publication: Feng, Zhengao; Allred, Tyler K.; Hurlow, Evan E.; Harran, Patrick G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 6
• Pages of publication: 2274 - 2278
• a: 7.7866 ± 0.0003 Å
• b: 15.2172 ± 0.0007 Å
• c: 10.1883 ± 0.0005 Å
• α: 90°
• β: 112.279 ± 0.003°
• γ: 90°
• Cell volume: 1117.09 ± 0.09 ų
• Cell temperature: 0 ± 2 K
• Ambient diffraction temperature: 0 ± 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: 0.0492
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No