Information card for entry 4030402

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.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: 14.465 ± 0.002 Å
• b: 11.3032 ± 0.0018 Å
• c: 15.418 ± 0.003 Å
• α: 90°
• β: 111.881 ± 0.003°
• γ: 90°
• Cell volume: 2339.3 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No