Information card for entry 4030401

Structure parameters

• Formula: C16 H25 N2 O
• Calculated formula: C16 H25 N2 O
• SMILES: C1(=O)[C@]2(CCCN1)CCCC[C@H]2/C=C/N1CCCC1.C1(=O)[C@@]2(CCCN1)CCCC[C@@H]2/C=C/N1CCCC1
• 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: 6.231 ± 0.003 Å
• b: 10.287 ± 0.005 Å
• c: 12.24 ± 0.006 Å
• α: 88.818 ± 0.009°
• β: 79.149 ± 0.01°
• γ: 89.56 ± 0.009°
• Cell volume: 770.4 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.2508
• Weighted residual factors for all reflections included in the refinement: 0.2776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No