Information card for entry 4030400

Structure parameters

• Formula: C24 H32 N2 O6
• Calculated formula: C24 H32 N2 O6
• SMILES: c1(ccccc1)CN1CCC[C@]2(C1=O)CCCC[C@@H]2[C@@H](/C=N\O)C(C(=O)OC)C(=O)OC
• Title of publication: Construction of the Myrioneuron Alkaloids: A Total Synthesis of (±)-Myrioneurinol.
• Authors of publication: Nocket, Anthony J.; Feng, Yiqing; Weinreb, Steven M.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 80
• Journal issue: 2
• Pages of publication: 1116
• a: 7.2974 ± 0.0014 Å
• b: 8.3147 ± 0.0015 Å
• c: 9.969 ± 0.0019 Å
• α: 75.788 ± 0.003°
• β: 83.489 ± 0.003°
• γ: 89.109 ± 0.004°
• Cell volume: 582.53 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No