Information card for entry 4030403

Structure parameters

• Formula: C12 H21 N O2
• Calculated formula: C12 H21 N O2
• SMILES: C1(=O)[C@@]2(CCCN1)CCCC[C@@H]2CCO.C1(=O)[C@]2(CCCN1)CCCC[C@H]2CCO
• 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: 26.445 ± 0.002 Å
• b: 8.1967 ± 0.0006 Å
• c: 11.1501 ± 0.0009 Å
• α: 90°
• β: 109.17 ± 0.001°
• γ: 90°
• Cell volume: 2282.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No