Information card for entry 1542634

Structure parameters

• Formula: C15 H25 N O2
• Calculated formula: C15 H25 N O2
• SMILES: O1[C@H]2[C@@H]3[C@@H]4N(CCCC4)C[C@]2(CCC3)CC[C@@H]1O.O1[C@@H]2[C@H]3[C@H]4N(CCCC4)C[C@@]2(CCC3)CC[C@H]1O
• Title of publication: Short and Scalable Total Synthesis of Myrioneuron Alkaloids (±)-α,β-Myrifabral A and B.
• Authors of publication: Song, Dengpeng; Wang, Zhengshen; Mei, Ruoming; Zhang, Weiwei; Ma, Donghui; Xu, Dengyu; Xie, Xingang; She, Xuegong
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 669 - 671
• a: 10.6087 ± 0.0013 Å
• b: 12.4575 ± 0.0014 Å
• c: 10.8471 ± 0.0015 Å
• α: 90°
• β: 104.219 ± 0.013°
• γ: 90°
• Cell volume: 1389.6 ± 0.3 ų
• Cell temperature: 291.48 ± 0.1 K
• Ambient diffraction temperature: 291.48 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No