Information card for entry 1553213

Structure parameters

• Formula: C17 H25 Cl N2 O2
• Calculated formula: C17 H25 Cl N2 O2
• SMILES: [Cl-].[NH2+]1CCC[C@@]2(O)[C@]31C[C@H](C[C@H]2Cc1nc(OC)ccc31)C
• Title of publication: Asymmetric total synthesis of Lycopodium alkaloids α-obscurine, N-desmethyl-α-obscurine, β-obscurine and N-desmethyl-β-obscurine
• Authors of publication: Fu, Jian-Guo; Xu, Guang-Qiang; Ding, Rui; Lin, Guo-Qiang; Sun, Bing-Feng
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 1
• Pages of publication: 62
• a: 10.351 ± 0.003 Å
• b: 11.942 ± 0.003 Å
• c: 26.963 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3332.9 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No